data_2cs0_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 2cs0 _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 ' 15' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 14.8 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.644 0.735 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 54.0 Cg_endo -69.72 174.43 9.48 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.419 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.63 -40.67 14.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -60.38 -12.59 9.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -96.94 92.96 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 22' ' ' ALA . 19.5 m-70 -90.04 39.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 40.17 -97.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -134.31 105.47 6.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.75 0.31 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.0 pt -115.12 172.74 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 27' ' ' ASP . 70.0 m -97.12 142.38 29.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' SER . 5.1 ttm180 -34.61 -39.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -71.83 -47.09 55.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' SER . 6.0 m-20 -48.72 -50.56 33.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HB1' ' NH1' ' A' ' 43' ' ' ARG . . . -56.79 -62.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -50.18 -32.08 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -79.83 -26.29 40.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 112' ' ' LYS . 3.8 mt -74.03 -26.18 60.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.3 mt -97.31 -28.94 13.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.0 pt-20 -50.37 -47.78 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.2 t -86.83 16.87 4.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 87.4 mm-40 -117.25 153.77 50.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.543 0.687 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 149.54 67.03 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.761 2.308 . . . . 0.0 112.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.437 HD21 ' N ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -46.42 133.09 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.439 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 108.59 -30.45 8.8 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.8 m -49.69 117.58 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.551 ' CE1' HG11 ' A' ' 90' ' ' VAL . 32.2 p90 -108.93 167.86 9.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -169.6 160.1 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.9 mt -133.49 148.5 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.545 ' NH2' ' CE1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -141.29 135.18 30.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.5 t -50.76 122.46 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 t -89.14 123.78 33.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -91.9 -46.72 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.5 m -43.45 -61.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -121.04 126.04 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 p -41.39 133.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.87 -129.01 5.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -155.0 179.95 8.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.975 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.9 m -140.71 106.63 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.524 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 1.8 tm? -83.33 128.58 34.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -139.52 160.99 38.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.468 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 32.5 p90 -172.08 156.82 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -69.92 129.69 40.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -121.78 145.57 47.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' ALA . 5.2 mm-40 -34.87 -50.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -70.32 -60.2 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m -174.3 169.29 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.4 t -48.66 136.77 12.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 99.1 m -111.89 145.81 38.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.545 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 88.2 m-70 -125.65 118.24 25.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.589 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 62' ' ' CYS . 25.8 m-85 -120.95 122.82 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.6 ptm -77.37 141.19 39.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -121.62 114.5 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 3.4 mtmp? -84.16 166.6 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.431 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -117.01 95.66 5.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -52.19 161.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -74.05 -20.28 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.45 9.17 4.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.3 18.67 79.08 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.0 p -112.53 -175.72 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 15.6 m-85 -137.11 139.9 41.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.426 ' HE1' ' N ' ' A' ' 81' ' ' VAL . 5.0 ttt -154.23 129.66 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 86.0 mt -71.05 138.61 84.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.75 86.68 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.768 2.312 . . . . 0.0 112.312 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.21 -11.7 1.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -93.42 -175.29 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -125.65 9.72 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.426 ' N ' ' HE1' ' A' ' 75' ' ' MET . 0.3 OUTLIER -136.79 160.3 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -131.92 -177.6 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.511 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 17.0 m-70 -154.98 144.5 21.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.3 p -52.89 -39.72 62.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.552 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 13.0 m -157.78 173.49 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.9 mt -49.27 -45.29 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.87 -57.78 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.9 -7.01 42.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.511 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -99.16 -23.9 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.551 HG11 ' CE1' ' A' ' 40' ' ' PHE . 84.5 t -78.71 -34.5 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 81.3 m -68.97 -44.74 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -67.56 -27.63 67.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -72.81 -25.41 61.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -70.5 -16.44 62.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.416 ' C ' HD21 ' A' ' 104' ' ' LEU . 44.9 mt-30 -113.4 -29.4 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.461 ' N ' HD21 ' A' ' 104' ' ' LEU . 11.0 mmmt -122.27 121.1 27.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -166.51 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.5 mm -101.44 144.74 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.7 tt0 -38.86 -58.67 1.62 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 54.3 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.236 . . . . 0.0 112.316 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -99.57 117.66 34.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.23 16.46 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -85.88 139.47 31.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.461 HD21 ' N ' ' A' ' 96' ' ' LYS . 12.9 mt -104.17 177.63 4.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 41.3 mt -104.24 166.62 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.439 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.4 p -130.29 -55.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -151.85 151.73 28.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 144.02 52.81 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 42.9 t -76.05 161.01 29.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -118.08 131.86 56.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -49.12 162.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.468 ' HG2' ' CD2' ' A' ' 31' ' ' LEU . 24.8 mmmt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 7.6 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.666 0.746 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.3 Cg_endo -69.75 176.02 7.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -88.27 -40.41 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.413 ' CE3' HD12 ' A' ' 42' ' ' ILE . 62.5 p-90 -58.17 -11.87 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -92.8 85.68 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 40.2 m-70 -86.73 28.76 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.05 -130.94 32.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -111.54 89.34 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 111.069 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.2 pt -98.22 174.08 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 27' ' ' ASP . 48.5 m -94.39 144.2 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -39.63 -43.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.13 -41.94 99.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' SER . 63.6 m-20 -60.37 -65.19 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.79 -55.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -54.9 -42.81 72.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -69.83 -25.2 63.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mt -74.76 -27.86 60.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.442 ' CD1' HD11 ' A' ' 41' ' ' LEU . 56.9 mt -98.55 -28.37 13.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.1 pt-20 -52.17 -48.47 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.0 t -83.49 13.03 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -114.16 154.57 46.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 152.93 69.11 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.72 2.28 . . . . 0.0 112.309 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -51.64 125.94 16.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.455 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 115.97 -26.97 8.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.447 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.9 m -54.22 116.34 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.647 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 15.6 p90 -108.44 153.12 23.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.551 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -160.25 143.57 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.434 ' CG1' HD11 ' A' ' 53' ' ' LEU . 97.2 mt -110.91 148.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' VAL . 14.4 ptt85 -140.19 109.18 6.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' ARG . 60.0 t -37.3 135.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.4 t -99.21 158.23 15.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -120.68 -49.85 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.4 m -44.79 -43.53 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -125.56 141.56 51.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.33 116.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.61 -142.21 11.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.434 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -138.53 -179.01 5.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 0.0 110.893 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.1 m -143.66 119.9 10.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.434 HD11 ' CG1' ' A' ' 42' ' ' ILE . 6.1 tp -96.44 149.83 21.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.418 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 38.4 m -156.26 164.87 37.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.801 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -174.34 151.8 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -66.74 123.13 19.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.417 ' C ' HD23 ' A' ' 37' ' ' LEU . . . -115.32 144.55 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.107 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.413 ' N ' HD23 ' A' ' 37' ' ' LEU . 20.0 mm-40 -36.88 -46.5 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.5 p -72.76 -64.89 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -170.95 161.38 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -48.3 144.23 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.424 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 2.8 t -120.69 163.66 17.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -142.28 112.16 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.668 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.491 ' CE2' HG13 ' A' ' 98' ' ' ILE . 4.7 m-85 -110.57 131.91 54.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.2 ptm -87.31 139.95 30.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.0 t -122.22 119.95 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -93.06 173.93 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.813 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 2.4 tt -116.95 99.48 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -51.47 -177.44 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -92.73 -22.25 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 71' ' ' ASP . 15.3 p-10 -80.33 8.52 7.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.64 48.82 7.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.3 p -142.7 165.76 26.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.175 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 2.2 m-85 -126.52 118.87 25.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.9 ptm -131.55 161.43 32.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 22.2 mt -94.33 138.67 22.39 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.639 0.733 . . . . 0.0 111.189 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.78 86.06 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.749 2.299 . . . . 0.0 112.281 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.89 -16.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.65 -179.35 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -120.05 20.62 12.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.2 m -148.53 152.05 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.45 -176.08 3.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.509 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 9.6 m-70 -148.36 147.15 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.3 p -53.24 -51.44 62.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.47 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 16.7 m -147.98 164.67 33.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.2 mt -39.21 -43.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -50.88 -61.75 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.31 -4.56 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.509 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -99.38 -25.14 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.647 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 93.3 t -79.03 -37.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.5 m -67.9 -53.31 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 20.5 t80 -53.91 -28.21 35.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 6.0 m-70 -70.07 -36.9 75.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -58.81 -15.51 12.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.404 ' C ' HD22 ' A' ' 104' ' ' LEU . 39.5 mt-30 -115.04 -28.68 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -123.27 117.9 27.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -167.79 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.411 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.491 HG13 ' CE2' ' A' ' 64' ' ' PHE . 3.0 mm -101.58 139.47 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.072 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.0 tt0 -34.59 -58.65 0.65 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 121.631 0.729 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.5 Cg_endo -69.74 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.623 2.215 . . . . 0.0 112.298 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 98' ' ' ILE . 2.3 mmp_? -99.39 116.56 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -84.64 16.13 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -84.43 134.62 34.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 95' ' ' GLN . 11.6 mt -96.55 169.85 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.6 mt -97.57 165.51 11.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.455 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 5.4 p -125.63 -57.72 1.44 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.406 ' N ' ' OG1' ' A' ' 106' ' ' THR . 8.2 pt20 -152.03 153.68 31.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.651 0.739 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 145.34 57.36 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 35.9 t -82.57 161.51 22.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -113.09 145.38 41.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -70.79 151.6 44.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 13.9 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.596 0.712 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.7 Cg_endo -69.76 163.82 36.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.1 pt-20 -78.19 -30.28 48.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.538 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 58.9 p-90 -70.8 -5.21 28.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.474 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 76.0 t80 -102.83 93.02 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -87.78 38.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 19' ' ' PHE . . . 45.54 -106.44 0.12 Allowed Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.485 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.11 98.21 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.408 HD13 ' CA ' ' A' ' 28' ' ' ALA . 23.0 pt -108.51 169.92 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 t -95.13 152.93 17.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -49.63 -26.77 3.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.84 -36.66 28.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.72 -54.97 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.408 ' CA ' HD13 ' A' ' 23' ' ' ILE . . . -47.95 -58.01 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -56.58 -35.11 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -73.85 -26.88 60.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mt -74.94 -29.69 61.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.434 ' CD1' HD12 ' A' ' 41' ' ' LEU . 15.8 mt -92.81 -25.52 18.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.4 pt-20 -53.26 -43.91 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.9 m -90.13 18.43 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -117.58 156.02 49.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 148.96 66.44 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -47.53 134.49 12.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.99 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.456 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 105.56 -25.59 23.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.432 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -52.96 115.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.486 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 32.8 p90 -105.65 166.25 10.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -169.08 158.2 8.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 43' ' ' ARG . 18.4 mt -128.74 141.55 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.457 ' N ' HG23 ' A' ' 42' ' ' ILE . 6.3 ptm180 -131.88 112.76 12.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ARG . 54.2 t -34.11 133.25 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.1 m -80.86 164.22 22.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -131.58 -51.82 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -53.53 -56.18 19.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.779 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -118.74 134.1 55.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 p -51.96 124.86 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.616 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 144.39 -133.24 5.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.425 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 21.0 m-85 -153.79 172.96 16.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.398 . . . . 0.0 110.947 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.1 m -134.6 116.36 14.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.425 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 2.2 tm? -88.81 131.59 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.413 ' OG ' ' ND1' ' A' ' 63' ' ' HIS . 2.9 m -143.48 157.75 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.775 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.465 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 31.4 p90 -169.54 162.2 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -79.61 124.96 29.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -117.24 146.94 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' ALA . 10.7 mt-30 -34.29 -51.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -69.28 -60.37 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m -174.94 172.04 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.809 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.75 141.74 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 99.6 m -116.74 146.58 42.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.413 ' ND1' ' OG ' ' A' ' 54' ' ' SER . 93.4 m-70 -124.48 133.51 53.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.638 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.55 ' CZ ' HG13 ' A' ' 98' ' ' ILE . 34.9 m-85 -136.9 135.82 38.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.3 ptm -90.73 135.79 33.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.3 t -117.4 115.01 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -84.38 163.5 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 tt -110.98 96.64 6.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.415 HD21 ' C ' ' A' ' 73' ' ' THR . 1.0 OUTLIER -49.88 178.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -85.34 -23.59 27.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.58 22.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.37 24.47 69.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.415 ' C ' HD21 ' A' ' 69' ' ' LEU . 20.1 p -112.61 177.49 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.555 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 17.5 m-85 -132.91 129.61 38.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.0 ttt -139.74 125.97 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 70.1 mt -71.99 138.46 82.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.704 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.84 109.61 2.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.66 -11.84 7.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -97.11 -177.62 3.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.955 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 3.5 mppt? -125.76 18.97 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.99 160.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.484 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -129.51 -175.11 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 15.4 m-70 -159.5 140.29 12.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.7 p -54.28 -50.34 67.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' LEU . 42.6 m -144.1 156.53 44.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 85' ' ' SER . 54.1 mt -34.34 -47.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -46.57 -60.0 2.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.76 -5.97 18.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -100.57 -24.87 14.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.486 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 81.5 t -79.94 -40.66 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.061 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -62.13 -40.34 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -72.86 -25.13 60.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.421 ' NE2' HD11 ' A' ' 76' ' ' ILE . 2.5 m-70 -73.79 -26.22 60.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -69.78 -10.27 57.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -120.14 -25.2 5.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -127.59 116.88 21.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -169.77 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.55 HG13 ' CZ ' ' A' ' 64' ' ' PHE . 2.1 mm -95.48 142.63 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.515 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.8 tt0 -35.74 -58.54 0.85 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.674 0.749 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 52.9 Cg_endo -69.86 -50.76 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -97.95 114.95 27.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -83.8 22.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 2.6 tm-20 -88.48 142.0 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.7 mt -105.02 175.61 5.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.43 HD13 ' CG ' ' A' ' 40' ' ' PHE . 16.0 mt -106.45 175.41 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.456 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 8.6 p -134.96 -62.06 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.3 pt20 -146.02 153.72 49.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.423 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.4 Cg_endo -69.81 142.67 48.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.625 2.217 . . . . 0.0 112.367 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.0 t -77.1 166.63 23.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.446 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 8.1 mmt-85 -121.47 131.69 54.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.28 143.01 56.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 11.6 p . . . . . 0 C--O 1.232 0.181 0 CA-C-O 121.608 0.718 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.456 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 54.0 Cg_endo -69.79 -177.66 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HA ' ' NE2' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -91.72 -40.36 11.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.456 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 52.7 p-90 -61.69 -13.07 19.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -95.84 82.42 3.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.532 ' CE1' HD21 ' A' ' 31' ' ' LEU . 21.4 m-70 -72.76 -19.39 61.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.61 -131.55 10.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.84 95.01 9.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.731 0.3 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.45 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 33.3 pt -120.78 161.6 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.01 159.75 15.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.8 tpp85 -39.8 -48.82 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -59.8 -41.23 90.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.423 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 11.6 m-20 -60.91 -56.83 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.14 -48.19 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.54 -38.7 90.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -73.76 -23.24 59.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.532 HD21 ' CE1' ' A' ' 20' ' ' HIS . 7.2 mt -78.28 -28.7 47.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.3 mt -96.04 -24.17 16.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.4 pt-20 -51.54 -46.04 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.466 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.5 t -87.7 16.05 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -115.87 153.96 48.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.582 0.706 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 149.89 67.26 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -49.05 129.29 17.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.445 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 111.3 -19.68 24.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -60.72 121.05 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.824 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.593 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 29.0 p90 -110.33 168.37 9.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -166.18 172.84 10.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 43' ' ' ARG . 16.3 mt -140.78 138.73 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 10.5 ptm180 -124.26 158.82 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.541 ' O ' ' CE1' ' A' ' 46' ' ' HIS . 59.3 t -78.58 117.0 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -70.23 151.44 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.541 ' CE1' ' O ' ' A' ' 44' ' ' VAL . 13.0 m80 -125.78 -52.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -50.5 -46.25 57.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -127.04 151.13 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.72 133.79 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.78 -141.9 13.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.459 ' CD2' HD13 ' A' ' 86' ' ' LEU . 76.2 m-85 -139.99 -175.44 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.908 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.1 m -146.98 116.56 7.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 HD23 ' CD2' ' A' ' 93' ' ' HIS . 6.3 tp -91.45 146.9 23.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -153.98 167.15 30.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.445 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 38.1 p90 -175.02 156.71 2.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -73.55 128.79 36.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -120.77 144.62 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.427 ' N ' HD22 ' A' ' 37' ' ' LEU . 20.5 mt-30 -34.99 -59.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -65.37 -59.44 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 94.6 p -164.36 172.92 12.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.7 m -61.32 154.9 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 29.9 m -111.31 162.05 15.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -151.88 106.35 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.551 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 98' ' ' ILE . 9.8 m-85 -117.37 144.02 45.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.0 ptm -99.91 136.02 40.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 18.3 t -116.98 104.41 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -71.42 169.77 14.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.5 99.54 7.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -55.08 173.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -81.0 -21.73 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.09 25.16 1.0 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.27 18.29 60.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.5 p -108.71 172.32 6.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.333 . . . . 0.0 111.18 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 1.6 m-85 -128.86 127.6 42.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 4.3 ttt -134.14 128.98 35.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 71.9 mt -76.44 138.65 67.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.666 0.746 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.78 92.89 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.29 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.18 -14.41 2.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.499 ' O ' ' CE ' ' A' ' 75' ' ' MET . 30.2 mt-10 -94.97 156.22 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 80' ' ' LYS . 10.8 mmmt -100.01 22.38 11.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.08 162.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.98 -179.29 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.471 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 11.2 m-70 -152.94 148.24 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.7 p -56.29 -47.7 78.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 46.2 m -148.18 178.89 8.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.797 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' A' ' 51' ' ' TYR . 28.9 mt -53.07 -50.95 63.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -46.78 -56.48 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.96 -7.05 43.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -98.71 -25.28 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.593 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 91.9 t -80.15 -49.2 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.2 m -53.03 -41.12 64.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 18.5 t80 -69.83 -30.72 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.417 ' CD2' HD23 ' A' ' 53' ' ' LEU . 4.6 m-70 -69.14 -24.63 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -69.69 -20.39 63.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -111.18 -24.82 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.42 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 11.1 mmmt -126.26 118.64 23.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.579 0.704 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.79 -171.5 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.257 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.565 HG13 ' CZ ' ' A' ' 64' ' ' PHE . 1.9 mm -97.26 152.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -45.55 -58.4 6.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.665 0.745 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 54.5 Cg_endo -69.8 -50.72 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.384 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -99.56 115.05 28.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.59 8.47 9.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.33 138.22 40.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mt -101.16 176.06 5.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.49 171.06 7.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.445 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 3.5 p -129.82 -59.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.437 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.6 pt20 -147.97 152.67 40.79 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.37 50.59 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 36.7 t -74.68 156.69 36.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -110.58 142.92 41.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 17' ' ' GLU . 14.6 mp0 -42.22 157.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 111' ' ' GLN . 3.1 mptt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 9.6 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.569 0.7 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 54.3 Cg_endo -69.7 -174.99 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.6 -40.09 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 57.7 p-90 -58.45 -14.58 8.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -95.85 121.54 37.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.486 ' CE1' HD11 ' A' ' 31' ' ' LEU . 16.4 m-70 -104.2 -54.33 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 126.54 86.04 0.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.532 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . . . 34.79 37.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.8 0.334 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 9.1 pt -50.51 170.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 27' ' ' ASP . 3.2 t -87.34 140.53 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -37.6 -40.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -70.38 -39.93 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -58.74 -43.23 90.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.28 93.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.424 ' CD ' ' HB2' ' A' ' 61' ' ' CYS . 3.1 mm-40 -70.98 -33.92 70.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -81.38 -28.83 34.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 20' ' ' HIS . 5.6 mt -71.58 -30.78 66.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.9 -27.93 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -53.61 -40.77 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -85.16 4.71 33.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -110.63 154.4 43.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.712 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 151.43 69.31 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.689 2.259 . . . . 0.0 112.39 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.84 134.34 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.445 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 108.99 -36.51 4.31 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m -45.86 119.63 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.81 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.621 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 33.9 p90 -110.86 168.4 9.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -168.44 166.77 12.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 43' ' ' ARG . 21.8 mt -133.32 138.44 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.467 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 6.5 ptm180 -126.63 112.11 15.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 22' ' ' ALA . 96.1 t -33.95 130.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.3 m -83.41 157.33 22.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 22' ' ' ALA . 72.9 m80 -121.05 -40.2 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.06 -50.51 66.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.561 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 52.8 p-80 -119.18 174.45 6.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.8 m -84.79 33.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.561 ' HA3' ' CD2' ' A' ' 48' ' ' HIS . . . -119.58 -142.96 6.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -140.86 -178.27 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -139.55 117.58 11.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 1.3 tm? -95.07 137.11 34.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 m -146.04 165.94 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.456 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 39.0 p90 -175.11 164.55 3.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -78.27 124.44 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -118.79 142.3 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' ALA . 12.8 mm-40 -36.83 -54.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.1 p -61.82 -64.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 t -174.29 155.77 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.424 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 1.8 m -41.05 142.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.3 m -119.36 160.99 21.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -142.12 115.98 9.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.609 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CE2' HG13 ' A' ' 98' ' ' ILE . 14.1 m-85 -116.77 147.06 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 ptm -100.65 151.3 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 66.8 t -129.93 111.83 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -77.85 164.8 24.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.405 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.3 tt -117.81 100.8 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.28 167.73 2.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -77.11 -13.45 59.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -88.03 21.22 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.99 20.01 64.14 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.403 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.6 p -112.93 170.63 8.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 48.7 m-85 -123.73 136.68 54.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 81' ' ' VAL . 6.7 tpt -138.43 135.8 35.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.529 ' CD1' ' NE2' ' A' ' 93' ' ' HIS . 27.1 mt -87.11 132.49 41.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 84.94 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.303 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.51 -30.05 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -86.83 -174.71 5.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -123.39 11.33 9.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.404 ' O ' ' SD ' ' A' ' 75' ' ' MET . 2.6 m -137.06 147.03 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -111.89 -179.07 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.467 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 17.3 m-70 -148.12 158.96 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.6 p -68.11 -49.89 58.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.485 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 3.5 m -152.29 162.13 41.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 85' ' ' SER . 3.8 mp -36.38 -45.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.16 -55.66 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.5 -7.74 53.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.467 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.54 -18.76 18.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.621 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 90.9 t -84.77 -36.82 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.3 m -67.58 -47.63 69.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.66 -30.2 71.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.529 ' NE2' ' CD1' ' A' ' 76' ' ' ILE . 2.7 m-70 -69.27 -30.7 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -65.81 -19.63 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -110.52 -22.96 11.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -130.27 119.7 18.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.529 0.68 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -166.31 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.695 2.264 . . . . 0.0 112.33 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.557 HG13 ' CE2' ' A' ' 64' ' ' PHE . 2.3 mm -101.75 144.7 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.524 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.7 tt0 -39.04 -58.33 1.8 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.675 0.75 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 54.3 Cg_endo -69.69 -50.26 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.781 2.32 . . . . 0.0 112.328 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.37 115.58 29.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -84.41 26.98 0.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE2' ' N ' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -93.26 144.91 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.438 ' N ' ' OE2' ' A' ' 103' ' ' GLU . 11.2 mt -106.34 179.03 4.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.0 mt -110.7 168.05 9.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.445 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 1.8 p -129.69 -55.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -154.18 152.42 26.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.545 0.688 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.31 53.58 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.322 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 46.8 t -78.72 151.33 32.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.67 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -39.17 148.44 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.9 pttp . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 8.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.609 0.718 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.555 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.82 -176.86 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.722 2.282 . . . . 0.0 112.312 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 4.9 pt-20 -93.89 -27.2 16.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.555 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 58.7 p-90 -72.0 -4.62 29.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -100.55 91.15 4.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 34.2 m-70 -85.93 34.96 0.61 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.42 -128.22 45.75 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.77 88.13 2.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.513 ' CG1' ' CB ' ' A' ' 43' ' ' ARG . 14.4 pt -107.36 165.1 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' ASP . 15.7 m -104.8 145.36 30.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' A' ' 26' ' ' GLU . 39.1 ptt85 -34.26 -42.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.501 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 11.9 pt-20 -56.01 -50.33 71.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -65.49 -46.5 79.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.807 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.01 -51.0 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.02 -38.96 80.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -71.1 -26.06 62.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.79 -33.42 60.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.457 ' CD2' HD12 ' A' ' 41' ' ' LEU . 12.7 mt -89.08 -28.0 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.7 pt-20 -49.16 -44.43 42.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.446 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.5 t -90.84 24.12 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -124.03 155.9 66.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.04 66.49 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.728 2.285 . . . . 0.0 112.312 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -49.57 127.47 15.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.441 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 112.77 -22.75 16.05 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.8 m -57.2 119.45 6.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.474 ' CE2' ' CG1' ' A' ' 90' ' ' VAL . 42.9 p90 -110.97 164.1 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.557 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -167.56 149.23 5.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 43' ' ' ARG . 62.2 mt -117.87 141.33 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.513 ' CB ' ' CG1' ' A' ' 23' ' ' ILE . 17.8 ptt85 -130.37 127.69 39.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.1 t -41.59 133.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 m -80.46 161.73 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -122.93 -42.35 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -57.23 -54.85 42.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -113.22 175.84 5.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.804 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.5 m -85.09 28.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.462 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -112.35 -136.52 6.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.533 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.549 ' CD2' HD13 ' A' ' 86' ' ' LEU . 23.9 m-85 -145.13 -179.6 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.895 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.3 m -137.07 116.66 12.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tp -96.11 138.13 34.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.6 m -147.25 167.75 23.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 64' ' ' PHE . 53.3 p90 -175.05 164.65 3.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -83.4 127.31 33.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.42 ' C ' HD23 ' A' ' 37' ' ' LEU . . . -118.73 152.34 36.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.05 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -42.51 -41.9 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -74.03 -64.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -174.73 165.86 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.1 m -48.6 141.17 7.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.9 m -123.09 149.2 44.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -124.58 123.0 39.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.615 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.568 ' CE2' HG13 ' A' ' 98' ' ' ILE . 53.0 m-85 -119.22 138.74 52.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 ptm -99.89 136.15 40.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.4 t -121.69 113.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -79.11 176.27 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -118.31 102.92 9.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 73' ' ' THR . 3.1 mm? -55.32 176.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -84.74 -24.75 28.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -81.29 12.8 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.22 12.6 84.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.494 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.418 ' C ' HD23 ' A' ' 69' ' ' LEU . 82.7 p -100.74 -177.78 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 5.4 m-85 -137.78 124.0 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.415 ' N ' HD22 ' A' ' 69' ' ' LEU . 3.0 ttt -130.19 132.68 46.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.451 HD11 ' CE1' ' A' ' 93' ' ' HIS . 75.8 mt -76.59 135.28 68.58 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.612 0.72 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.401 ' N ' HG21 ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.74 80.37 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.743 2.296 . . . . 0.0 112.313 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.08 -28.68 0.3 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -83.34 -176.15 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.12 19.47 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.77 162.81 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.88 177.33 7.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 10.5 m-70 -150.25 148.7 29.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.3 p -53.55 -53.55 50.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.048 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.546 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 9.4 m -144.67 159.64 42.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.814 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.549 HD13 ' CD2' ' A' ' 51' ' ' TYR . 68.7 mt -36.73 -47.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -48.05 -59.64 3.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.84 -8.94 40.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -96.13 -26.3 15.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.474 ' CG1' ' CE2' ' A' ' 40' ' ' PHE . 53.4 t -75.46 -47.74 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.7 m -55.44 -50.56 69.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.1 -31.25 69.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.451 ' CE1' HD11 ' A' ' 76' ' ' ILE . 5.4 m-70 -66.29 -37.26 85.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -58.22 -18.9 29.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -110.89 -22.26 11.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.48 115.65 18.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HD3' ' CD2' ' A' ' 104' ' ' LEU . 54.4 Cg_endo -69.76 -174.93 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.568 HG13 ' CE2' ' A' ' 64' ' ' PHE . 2.1 mm -89.07 144.68 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.504 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -37.91 -58.73 1.32 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.731 . . . . 0.0 110.835 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.3 Cg_endo -69.76 -52.16 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.362 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.441 ' HD3' ' CE2' ' A' ' 64' ' ' PHE . 3.7 mpt_? -91.52 115.0 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -85.28 26.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -99.15 143.96 28.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.416 ' CD2' ' HD3' ' A' ' 97' ' ' PRO . 15.6 mt -102.87 174.93 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.1 171.25 7.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.441 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.7 p -130.27 -57.33 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.413 ' N ' ' OG1' ' A' ' 106' ' ' THR . 23.4 pt20 -152.36 150.37 25.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 145.77 58.17 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.662 2.242 . . . . 0.0 112.385 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 47.1 t -74.72 163.72 27.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.498 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 6.6 mmt180 -119.94 136.04 54.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -44.57 161.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.898 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 86.1 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.645 0.736 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 53.1 Cg_endo -69.86 176.45 6.82 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.277 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.2 -41.97 14.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.401 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 64.1 p-90 -58.95 -12.96 5.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.438 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 66.2 t80 -98.34 117.11 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.445 ' CG ' HE22 ' A' ' 111' ' ' GLN . 36.7 m-70 -110.34 20.48 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 44' ' ' VAL . . . 68.1 -106.5 1.74 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.18 80.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 pt -94.34 172.54 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.066 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 m -102.24 159.47 15.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -45.66 -54.03 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 10.5 pt-20 -55.13 -44.61 75.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 79.7 m-20 -55.88 -57.47 11.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.26 -51.82 31.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -58.85 -35.39 72.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -75.59 -25.53 57.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.68 -28.1 58.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.3 mt -95.86 -26.16 15.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.9 pt-20 -52.5 -46.36 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.471 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.8 m -85.57 10.79 12.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -112.69 155.0 44.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.594 0.711 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 153.0 69.3 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.57 131.93 29.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.42 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 108.91 -21.91 26.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 m -57.23 122.38 12.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.387 . . . . 0.0 110.904 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.59 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 33.9 p90 -110.6 158.06 18.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.551 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.48 147.67 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.83 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.4 mt -118.04 145.26 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -135.76 120.02 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 21' ' ' GLY . 90.6 t -44.41 106.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.5 p -73.32 141.47 47.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -110.92 -38.16 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.6 m -48.06 -55.12 10.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -124.44 143.45 50.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -52.7 120.68 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.61 -152.62 20.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CE2' HD12 ' A' ' 86' ' ' LEU . 4.0 m-85 -130.46 171.82 12.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.931 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.2 m -133.41 93.93 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.17 142.37 54.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.2 m -150.67 165.25 33.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.447 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 9.5 p90 -174.75 143.28 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -56.44 125.33 21.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -118.1 143.43 46.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ALA . 22.9 mt-30 -35.87 -55.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.8 p -65.94 -60.12 3.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 61' ' ' CYS . 15.6 t -174.35 154.35 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.814 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 4.4 m -35.48 148.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.1 m -119.92 147.1 45.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -130.56 114.97 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.611 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 98' ' ' ILE . 36.2 m-85 -115.7 124.38 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.6 ptm -78.81 142.95 36.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.92 129.88 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 166.97 10.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.05 94.75 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.423 HD22 ' CB ' ' A' ' 75' ' ' MET . 1.7 mm? -48.01 169.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -75.64 -22.56 56.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -84.59 21.32 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.16 17.95 66.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.421 ' C ' HD23 ' A' ' 69' ' ' LEU . 64.3 p -106.83 179.94 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.185 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 14.2 m-85 -129.57 135.1 48.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.439 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -142.87 132.18 23.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 59.8 mt -83.87 138.64 40.26 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.573 0.701 . . . . 0.0 111.165 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.3 Cg_endo -69.73 85.67 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.03 -19.47 0.56 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' CE ' ' A' ' 75' ' ' MET . 57.9 mm-40 -98.79 155.33 17.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.986 0.422 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.465 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 4.6 mmmm -99.1 31.28 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.89 165.59 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.17 177.33 7.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.479 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 10.0 m-70 -148.75 150.49 33.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.3 p -55.68 -50.77 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.568 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 4.2 m -148.91 175.9 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 51' ' ' TYR . 84.7 mt -49.64 -49.92 45.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.36 -54.1 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.66 -11.07 60.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -98.17 -15.98 19.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.59 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 80.3 t -87.71 -37.32 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.5 m -70.71 -43.84 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -64.21 -30.62 71.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 5.5 m-70 -67.91 -36.2 79.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -53.05 -19.1 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -113.03 -28.59 7.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.53 112.43 29.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.44 ' HD3' ' CD2' ' A' ' 104' ' ' LEU . 53.4 Cg_endo -69.75 -164.08 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.655 2.237 . . . . 0.0 112.283 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.567 HG13 ' CE1' ' A' ' 64' ' ' PHE . 2.1 mm -98.91 139.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -35.04 -58.5 0.72 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.667 0.746 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.6 Cg_endo -69.75 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -100.49 112.41 24.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.9 -11.7 60.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.73 128.45 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.44 ' CD2' ' HD3' ' A' ' 97' ' ' PRO . 10.4 mt -94.28 177.9 5.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 55' ' ' TYR . 34.6 mt -106.59 151.74 24.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.42 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.0 p -114.99 -54.87 2.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -153.51 153.26 28.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.51 0.672 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.38 53.83 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.68 148.35 35.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -102.85 150.62 23.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.445 HE22 ' CG ' ' A' ' 20' ' ' HIS . 25.2 mm-40 -46.02 172.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.3 pttt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 8.7 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.634 0.731 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.9 Cg_endo -69.69 -179.77 3.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.411 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -92.96 -40.03 10.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.419 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 56.6 p-90 -56.94 -14.59 3.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -89.41 88.26 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -84.84 39.93 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.27 -113.39 0.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.16 84.52 2.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.422 ' CD1' ' HB1' ' A' ' 28' ' ' ALA . 16.4 pt -96.87 -179.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 m -102.17 140.93 35.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' SER . 25.1 ttt180 -35.17 -46.93 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.96 -51.79 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.65 -39.47 65.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.422 ' HB1' ' CD1' ' A' ' 23' ' ' ILE . . . -62.88 -61.73 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.65 ' CD ' ' CE1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -54.94 -38.47 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -67.43 -30.35 70.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.427 ' CD2' ' HG3' ' A' ' 112' ' ' LYS . 3.4 mt -71.56 -27.83 63.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD1' HD13 ' A' ' 41' ' ' LEU . 16.3 mt -93.15 -27.21 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.978 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.0 pt-20 -52.01 -43.04 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.423 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.0 m -88.83 15.48 8.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -114.53 156.71 44.28 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.701 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 149.58 67.38 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.716 2.278 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD21 ' N ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -47.7 131.09 14.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.414 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 110.76 -32.4 6.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.529 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 m -49.22 122.32 5.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CE2' HG11 ' A' ' 90' ' ' VAL . 32.5 p90 -115.9 164.76 13.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 54' ' ' SER . 0.0 OUTLIER -168.17 163.01 13.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.449 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 93.7 mt -134.11 158.47 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 9.6 ptt85 -149.5 112.14 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.6 t -39.01 112.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.5 p -72.3 165.55 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.786 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -127.95 -35.43 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 t -58.28 -66.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -102.48 143.49 32.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.7 94.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 166.92 -137.01 4.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 19.1 m-85 -146.26 -177.62 5.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.933 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.9 m -142.73 119.31 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -99.98 132.67 45.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.469 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 2.5 t -136.08 153.2 51.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.67 ' CE2' ' CE2' ' A' ' 64' ' ' PHE . 7.7 p90 -164.29 146.59 8.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -62.79 129.57 41.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -122.19 138.7 54.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.447 ' N ' HD21 ' A' ' 37' ' ' LEU . 22.7 mt-30 -34.46 -42.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.8 m -71.09 -69.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.2 m -174.64 161.59 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 60' ' ' SER . 26.4 p -34.62 135.9 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.2 m -130.17 145.56 51.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.65 ' CE1' ' CD ' ' A' ' 29' ' ' GLU . 87.8 m-70 -119.04 139.6 51.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 109.57 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.67 ' CE2' ' CE2' ' A' ' 55' ' ' TYR . 41.5 m-85 -133.87 100.43 4.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.9 ptm -68.34 140.24 55.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.7 t -121.15 104.38 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -71.33 169.71 14.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.566 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 tt -118.16 105.62 11.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.72 165.94 3.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -75.05 -20.27 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.76 13.32 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.67 18.61 77.4 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.7 p -109.32 178.38 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.148 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 14.5 m-85 -132.8 137.9 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 ttt -150.3 133.4 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.435 ' CD1' ' NE2' ' A' ' 93' ' ' HIS . 23.4 mt -75.47 132.44 75.68 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.588 0.709 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.414 ' N ' HG22 ' A' ' 76' ' ' ILE . 53.0 Cg_endo -69.83 82.59 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.96 -17.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 99' ' ' GLU . 6.3 mm-40 -99.75 -175.34 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.952 0.406 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -123.24 21.15 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.42 153.17 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.488 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -124.81 -174.87 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 9.7 m-70 -159.99 142.31 13.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 74.9 p -50.26 -52.45 36.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.553 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 68.4 m -141.53 171.68 13.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 4.6 mt -54.12 -49.3 69.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -52.07 -20.22 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.63 -13.28 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.557 ' CD1' ' C ' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -96.17 -20.35 18.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.553 HG11 ' CE2' ' A' ' 40' ' ' PHE . 65.5 t -79.21 -44.17 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 40.1 m -57.81 -44.83 86.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 24.9 t80 -65.31 -28.51 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.435 ' NE2' ' CD1' ' A' ' 76' ' ' ILE . 2.7 m-70 -68.81 -23.78 64.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.27 -18.98 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.416 ' C ' HD22 ' A' ' 104' ' ' LEU . 41.7 mt-30 -111.66 -27.44 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.523 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 7.9 mmmt -123.96 118.51 26.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.26 2.79 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 64' ' ' PHE . 2.1 mm -90.17 150.15 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -43.86 -58.44 4.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.663 0.744 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.9 Cg_endo -69.82 -48.22 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.634 2.223 . . . . 0.0 112.328 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -100.52 111.88 24.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 7.03 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -79.13 146.23 33.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' ' 95' ' ' GLN . 12.4 mt -104.74 176.42 5.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.1 mt -103.14 165.68 10.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 107' ' ' GLN . 1.6 p -127.24 -58.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.432 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.9 pt20 -151.48 152.9 31.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.663 0.744 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 143.91 52.62 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.658 2.239 . . . . 0.0 112.38 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 34.2 t -75.81 163.06 27.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -117.54 142.1 47.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -66.67 153.01 44.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.427 ' HG3' ' CD2' ' A' ' 31' ' ' LEU . 6.3 mtpm? . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.463 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 85.8 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.82 -179.55 3.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.388 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' OE1' ' NE ' ' A' ' 110' ' ' ARG . 6.2 pt-20 -90.58 -28.23 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.508 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 56.3 p-90 -74.22 -4.79 38.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -101.68 100.47 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.407 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 4.0 m-70 -99.33 41.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 42.71 -127.0 4.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.529 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -112.79 115.55 28.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.726 0.298 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.458 ' CG1' ' HD2' ' A' ' 43' ' ' ARG . 6.1 pt -125.29 -177.61 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASP . 12.9 p -100.92 148.48 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -44.35 -29.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.48 -33.21 48.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' SER . 61.4 m-20 -68.62 -53.53 22.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.05 -51.45 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -62.83 -40.32 97.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -67.73 -23.08 65.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mt -78.92 -31.72 45.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CD1' HD13 ' A' ' 41' ' ' LEU . 20.0 mt -93.43 -24.39 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.519 ' CG ' ' N ' ' A' ' 34' ' ' SER . 3.8 pt-20 -54.71 -48.67 72.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.519 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 48.9 m -79.62 1.91 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -106.31 152.42 40.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.669 0.747 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.7 59.48 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.644 2.229 . . . . 0.0 112.356 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -51.92 131.41 31.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 112.52 -32.28 6.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.574 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -51.14 119.38 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 90' ' ' VAL . 29.6 p90 -112.08 159.22 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.578 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -162.13 136.92 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 54.6 mt -106.86 151.09 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.458 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 8.7 mtm180 -137.42 172.93 12.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 t -90.3 112.86 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -73.6 119.14 17.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -79.52 -45.53 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.7 t -49.17 -43.89 42.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.418 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 9.8 p-80 -140.12 126.34 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 p -49.98 111.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.57 -128.05 1.56 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.514 ' CG ' HD12 ' A' ' 86' ' ' LEU . 71.3 m-85 -154.35 163.54 39.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.2 m -129.24 111.64 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.217 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.9 tm? -85.4 127.27 34.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -141.47 159.15 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.464 ' CD2' ' CD2' ' A' ' 105' ' ' LEU . 26.3 p90 -172.19 147.98 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -61.88 126.95 29.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.418 ' C ' HD23 ' A' ' 37' ' ' LEU . . . -115.63 147.58 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -45.75 -36.34 5.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -83.8 -66.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -165.12 155.18 13.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.1 t -44.09 142.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -118.5 162.06 18.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -147.97 109.21 4.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.545 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.534 ' CE2' HG13 ' A' ' 98' ' ' ILE . 11.7 m-85 -110.46 124.86 52.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.4 ptm -74.71 148.19 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.9 t -131.05 116.43 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 4.7 mtmp? -84.06 161.86 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.99 86.31 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -44.23 161.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -74.91 -20.38 59.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.21 6.26 8.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.49 76.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.459 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.2 p -107.96 -177.69 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.503 ' CE1' ' HA ' ' A' ' 85' ' ' SER . 9.9 m-85 -141.43 125.07 16.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.444 ' HE1' ' N ' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -142.34 137.47 30.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 79.2 mt -78.19 138.35 60.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.673 0.749 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.75 81.71 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.709 2.273 . . . . 0.0 112.259 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.94 -20.4 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -89.35 -178.28 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 18.83 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.444 ' N ' ' HE1' ' A' ' 75' ' ' MET . 0.2 OUTLIER -144.25 157.37 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -128.29 -176.71 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.06 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 18.7 m-70 -151.18 151.93 32.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.6 p -62.18 -44.57 96.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 3.9 m -149.93 164.47 35.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.514 HD12 ' CG ' ' A' ' 51' ' ' TYR . 77.9 mt -42.0 -50.89 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.14 -59.7 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.83 -4.82 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.584 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -98.29 -27.59 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.551 HG12 ' CE2' ' A' ' 40' ' ' PHE . 88.5 t -79.54 -39.25 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.7 m -63.82 -46.71 83.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -65.25 -25.75 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 8.7 m-70 -72.18 -43.7 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.811 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -49.04 -19.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -112.33 -26.26 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -124.38 110.77 28.41 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.59 0.709 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.473 ' N ' HD21 ' A' ' 104' ' ' LEU . 53.0 Cg_endo -69.81 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.534 HG13 ' CE2' ' A' ' 64' ' ' PHE . 1.8 mm -92.22 139.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.9 tt0 -34.78 -58.5 0.68 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.706 0.765 . . . . 0.0 110.923 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.5 Cg_endo -69.77 -46.81 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.375 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 61.5 mmt-85 -102.99 112.79 25.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -10.53 59.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.75 142.24 41.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.473 HD21 ' N ' ' A' ' 97' ' ' PRO . 15.8 mt -108.3 -179.04 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.464 ' CD2' ' CD2' ' A' ' 55' ' ' TYR . 37.4 mt -107.03 165.04 11.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.449 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.1 p -128.53 -58.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.433 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.1 pt20 -148.93 152.34 36.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.525 0.679 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.44 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.2 Cg_endo -69.69 145.95 59.16 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 42.9 t -79.68 162.23 25.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.407 ' NE ' ' OE1' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -119.08 132.76 56.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -56.87 145.84 28.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.3 mttt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.659 0.742 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' HB2' ' CD1' ' A' ' 18' ' ' TRP . 53.1 Cg_endo -69.79 170.74 15.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.72 -39.87 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 65.2 p-90 -59.27 -11.54 4.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -100.02 105.76 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.417 ' CE1' ' HA ' ' A' ' 111' ' ' GLN . 29.8 m-70 -104.84 39.5 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.91 -118.59 2.74 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.475 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.43 104.35 11.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 0.0 111.06 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 pt -113.32 175.79 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -98.15 145.68 26.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.782 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -42.77 -32.89 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.77 -41.23 60.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.67 -56.99 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.08 -58.33 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -55.43 -44.01 75.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -70.18 -22.17 62.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mt -77.38 -31.68 54.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 41' ' ' LEU . 20.5 mt -93.52 -24.79 17.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.2 pt-20 -56.46 -46.27 80.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.475 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 50.7 m -85.07 11.75 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -111.28 157.79 37.96 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 151.96 69.26 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.742 2.295 . . . . 0.0 112.302 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -51.96 130.58 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.44 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 107.95 -19.33 32.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.529 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -58.22 123.34 15.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.54 ' CE1' HG11 ' A' ' 90' ' ' VAL . 34.9 p90 -117.3 150.68 38.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.554 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -160.49 142.9 12.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 55.5 mt -114.03 158.5 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.493 ' NH2' ' ND1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -151.05 140.68 21.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -55.65 122.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.2 m -75.01 164.26 26.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -125.37 -47.87 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.0 t -54.26 -58.7 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -115.28 142.79 46.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.82 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.78 123.77 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.608 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 142.69 -128.98 3.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.608 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 31.2 m-85 -155.33 169.64 23.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.926 0.393 . . . . 0.0 110.926 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.6 m -135.66 117.54 15.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 93' ' ' HIS . 12.9 tp -86.38 134.53 33.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -139.25 156.3 47.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -171.03 150.74 3.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -68.02 132.43 47.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.998 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -123.25 141.47 51.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' ALA . 12.6 mt-30 -35.79 -39.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.8 m -78.7 -62.91 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.9 p -173.6 164.58 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 72.9 m -52.23 130.14 29.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 t -114.98 158.82 21.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.493 ' ND1' ' NH2' ' A' ' 43' ' ' ARG . 81.5 m-70 -132.32 138.89 47.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 98' ' ' ILE . 60.1 m-85 -134.2 127.8 32.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.5 ptm -86.96 136.08 33.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 57.5 t -119.94 108.64 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -76.22 158.26 31.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.509 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 tt -104.02 102.65 12.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.422 HD21 ' C ' ' A' ' 73' ' ' THR . 2.1 mm? -54.44 162.87 1.0 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -71.79 -25.75 62.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -76.21 6.82 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.18 16.65 76.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.422 ' C ' HD21 ' A' ' 69' ' ' LEU . 71.2 p -108.5 -179.63 3.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 111.145 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.509 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 21.1 m-85 -131.87 131.51 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.7 ttt -139.93 126.88 20.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.421 HD13 ' CE1' ' A' ' 93' ' ' HIS . 89.5 mt -72.61 131.63 84.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.719 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.405 ' N ' HG21 ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.77 83.49 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.766 2.31 . . . . 0.0 112.307 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.71 -15.01 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.43 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 99' ' ' GLU . 7.9 mm-40 -101.14 -175.0 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.373 . . . . 0.0 110.888 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.23 19.48 9.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.72 156.41 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.499 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -126.15 -174.89 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 8.7 m-70 -159.66 136.12 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.6 p -44.42 -49.42 9.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.171 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.466 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 5.9 m -149.67 171.57 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.6 mt -45.62 -46.03 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -57.85 5.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.94 -6.53 39.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -100.28 -20.89 15.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.54 HG11 ' CE1' ' A' ' 40' ' ' PHE . 60.0 t -81.28 -42.43 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.3 m -65.68 -46.35 79.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -62.63 -29.48 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.486 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.9 m-70 -71.38 -29.46 64.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -64.74 -15.82 62.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -115.25 -27.7 7.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -124.65 108.33 28.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 179.28 3.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.64 2.226 . . . . 0.0 112.338 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 64' ' ' PHE . 1.9 mm -80.86 149.17 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.6 tt0 -42.0 -58.61 3.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.651 0.738 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.5 Cg_endo -69.82 -51.19 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.753 2.302 . . . . 0.0 112.3 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -93.81 114.27 26.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -17.64 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.79 142.87 17.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.8 mt -108.11 175.63 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.4 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 31.5 mt -98.13 159.33 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.44 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.2 p -122.84 -57.77 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.423 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.6 pt20 -151.19 151.29 29.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.3 50.46 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.2 t -76.81 161.32 28.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -116.99 136.99 52.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.417 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 1.9 pt20 -58.03 150.05 21.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 7.3 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.638 0.732 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.492 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 54.2 Cg_endo -69.81 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.46 -27.36 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.492 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 61.0 p-90 -73.45 -12.45 60.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -97.14 105.06 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -101.61 34.7 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 53.92 -130.29 43.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.476 ' HB1' ' CE1' ' A' ' 46' ' ' HIS . . . -105.72 99.48 9.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.3 pt -111.59 177.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' ASP . 57.7 m -107.28 147.45 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.82 -45.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.1 -43.81 98.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' SER . 91.0 m-20 -58.25 -58.15 9.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.55 -53.29 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -58.23 -38.38 76.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -72.24 -27.93 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -72.94 -28.87 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 mt -93.46 -31.01 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.959 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.8 pt-20 -46.29 -44.46 16.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 26.2 m -94.08 32.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -131.08 156.25 80.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 153.55 69.1 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -55.74 124.53 17.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 112.17 -9.35 26.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -66.65 119.28 11.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.98 0.419 . . . . 0.0 110.826 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.644 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 19.1 p90 -107.34 152.41 24.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.562 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -161.6 141.23 10.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.3 mt -110.29 157.66 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -143.47 136.43 27.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.3 91.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.0 t -54.31 153.43 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.476 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 67.1 m80 -121.13 -37.68 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.7 m -48.47 -68.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -107.45 161.97 14.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.14 111.62 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.67 -133.06 4.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -144.53 -175.26 4.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.012 0.434 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 96.4 m -145.63 110.05 5.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -86.69 143.54 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 m -151.74 162.89 40.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -167.55 148.35 5.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -70.73 118.16 13.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 60' ' ' SER . . . -105.95 160.06 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ALA . 5.7 mm-40 -36.53 93.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' ALA . 2.0 t 47.64 47.99 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.9 p -175.73 117.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.789 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.5 t -91.97 145.92 24.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.72 161.23 30.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -142.07 105.84 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.532 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 98' ' ' ILE . 28.3 m-85 -92.36 156.52 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.5 ptm -110.38 140.96 44.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 61.3 t -124.24 122.97 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 166.51 13.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.466 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -112.4 89.94 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -45.25 170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.01 -23.25 48.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -80.47 9.36 6.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.38 19.92 77.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.2 p -108.67 176.61 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.466 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 19.8 m-85 -130.66 135.3 47.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.419 ' HE1' ' C ' ' A' ' 79' ' ' GLU . 1.5 tpt -147.77 141.06 25.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 24.2 mt -91.14 138.47 25.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 111.092 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.69 82.72 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 163.95 -28.13 0.22 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.5 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' C ' ' HE1' ' A' ' 75' ' ' MET . 10.8 mm-40 -85.51 -177.47 6.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -121.69 1.74 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.54 148.87 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.4 -177.37 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 27.2 m-70 -147.79 165.06 31.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 72.4 p -75.67 -43.64 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.428 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 56.4 m -151.12 163.09 39.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 90' ' ' VAL . 44.1 mt -42.33 -49.41 5.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -47.97 -54.09 13.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.83 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.82 -9.79 59.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.506 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.63 -20.58 17.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.644 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 81.3 t -83.2 -38.57 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.2 m -62.38 -46.57 88.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -65.56 -32.18 73.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -67.21 -32.93 74.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -62.5 -19.06 63.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -111.41 -29.3 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -121.49 119.22 29.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.524 0.678 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.449 ' CA ' HD23 ' A' ' 104' ' ' LEU . 53.9 Cg_endo -69.75 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.572 HG13 ' CE2' ' A' ' 64' ' ' PHE . 2.7 mm -97.85 150.17 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.6 tt0 -42.07 -58.83 3.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.74 0.781 . . . . 0.0 110.979 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.8 Cg_endo -69.75 -54.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.493 ' N ' ' HD3' ' A' ' 101' ' ' ARG . 0.4 OUTLIER -94.22 120.55 34.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -83.27 -10.47 58.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.81 138.56 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.449 HD23 ' CA ' ' A' ' 97' ' ' PRO . 12.3 mt -102.95 -176.33 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.7 mt -108.86 172.41 6.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.404 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.6 p -134.39 -53.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -154.92 151.94 24.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 142.84 48.94 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 51.5 t -77.55 161.83 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -113.24 154.2 27.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -66.36 155.09 38.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 87.3 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.651 0.739 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 53.5 Cg_endo -69.78 -163.81 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.397 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.2 pt-20 -101.28 -29.34 12.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -73.52 -10.7 59.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -98.87 92.38 5.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -86.48 25.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.42 -117.79 10.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.79 85.88 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.6 pt -97.84 178.67 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 m -105.07 169.33 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -55.73 -55.27 34.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 17.9 pm0 -57.45 -30.18 64.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.48 ' N ' ' HG2' ' A' ' 26' ' ' GLU . 8.0 m-20 -73.18 -50.99 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.16 -51.16 67.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.17 -35.74 76.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -72.92 -24.67 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -76.82 -25.81 53.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.437 ' CD1' HD12 ' A' ' 41' ' ' LEU . 25.5 mt -99.32 -25.92 14.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.979 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.4 pt-20 -51.96 -47.08 64.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 16.4 m -84.79 12.81 6.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -114.42 153.41 46.57 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.74 69.51 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.63 2.22 . . . . 0.0 112.403 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.423 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -50.17 126.76 15.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.949 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.445 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 115.79 -25.39 9.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 m -56.85 119.63 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.622 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 25.2 p90 -108.97 157.24 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.542 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.69 150.32 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 43' ' ' ARG . 14.7 mt -120.86 157.02 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.418 ' N ' HG22 ' A' ' 42' ' ' ILE . 10.3 ptt85 -147.48 117.24 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' ARG . 47.5 t -37.28 133.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -94.32 158.52 15.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 47' ' ' SER . 29.9 m170 -122.59 -62.26 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 46' ' ' HIS . 12.2 t -35.04 -45.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -131.14 143.01 50.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -62.49 119.47 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.556 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 149.57 -124.44 1.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 59.1 m-85 -161.89 -177.1 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.931 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 64' ' ' PHE . 95.3 m -142.96 118.41 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 0.8 OUTLIER -94.49 132.34 39.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.436 ' N ' HD22 ' A' ' 53' ' ' LEU . 3.1 m -140.53 156.55 46.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.523 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 53.8 p90 -168.73 147.08 4.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -62.18 131.5 49.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.423 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -122.27 144.73 48.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' ALA . 8.2 mt-30 -37.58 -45.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -74.03 -63.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m -170.44 161.53 7.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.8 t -44.04 144.22 0.97 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 55' ' ' TYR . 29.6 p -118.33 146.02 44.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -125.89 112.78 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.575 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.444 ' O ' ' CG2' ' A' ' 52' ' ' THR . 53.3 m-85 -117.7 149.45 40.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.9 ptm -109.02 145.23 35.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.2 t -121.45 118.91 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -85.59 165.5 17.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.453 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -109.0 106.05 15.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.424 HD22 ' C ' ' A' ' 73' ' ' THR . 2.6 mm? -63.27 157.73 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.92 -23.83 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -74.0 -5.85 43.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.72 12.41 55.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.538 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.473 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 30.9 p -104.76 -178.84 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.857 0.361 . . . . 0.0 111.085 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -141.8 126.85 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.4 ptm -142.28 157.99 44.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 22.8 mt -88.8 138.28 29.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.1 Cg_endo -69.76 90.8 0.51 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.742 2.295 . . . . 0.0 112.331 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.08 -21.16 0.76 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -90.68 -178.96 5.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.986 0.422 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.59 22.41 10.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.12 156.08 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.32 -177.92 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.49 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 14.0 m-70 -152.45 139.96 19.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.1 p -45.24 -48.98 12.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.568 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 5.8 m -153.43 174.29 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.8 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.9 mt -46.51 -45.12 18.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -56.46 12.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.69 39.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -98.62 -19.3 17.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.971 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.622 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 79.0 t -84.47 -38.55 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.062 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.6 m -66.14 -51.03 61.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 36.5 t80 -56.96 -30.72 64.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.415 ' NE2' HD11 ' A' ' 76' ' ' ILE . 3.2 m-70 -66.76 -35.37 79.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -62.68 -11.28 16.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.4 ' C ' HD23 ' A' ' 104' ' ' LEU . 43.1 mt-30 -121.54 -28.28 4.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.54 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -125.79 111.72 24.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 -168.35 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.441 HG13 ' CE2' ' A' ' 64' ' ' PHE . 2.1 mm -99.31 151.78 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.0 tt0 -41.74 -58.76 2.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.8 Cg_endo -69.79 -51.01 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.742 2.294 . . . . 0.0 112.308 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' ILE . 71.2 mmt-85 -96.22 117.56 31.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -14.42 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -54.48 144.94 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 95' ' ' GLN . 14.4 mt -108.94 169.31 8.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 93' ' ' HIS . 10.2 mt -97.12 159.64 14.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.445 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.6 p -123.45 -54.48 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -150.94 152.74 32.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.558 0.694 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 144.39 53.79 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.608 2.205 . . . . 0.0 112.369 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 47.8 t -74.01 162.38 29.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 6.4 mmt180 -120.48 135.9 54.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -51.15 151.39 2.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.936 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 7.1 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.605 0.717 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HB2' ' CD1' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.8 172.37 12.8 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -82.13 -40.59 21.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.474 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 61.1 p-90 -57.79 -15.23 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -95.39 89.78 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -86.44 40.03 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.81 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 39.46 -102.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.35 90.13 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.711 0.291 . . . . 0.0 111.072 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.7 pt -99.93 174.29 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.8 p -100.99 139.69 36.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 14.1 ttm180 -34.63 -38.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.02 -52.16 51.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -57.36 -38.01 73.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.74 71.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.1 -36.61 82.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.34 -23.47 57.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mt -76.0 -28.97 58.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.4 mt -95.58 -28.83 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.2 pt-20 -50.44 -47.96 56.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 58.0 m -86.07 21.67 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -123.05 153.24 64.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 149.77 67.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD21 ' N ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -47.31 131.21 13.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.462 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 110.17 -27.32 11.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.2 m -52.37 106.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.455 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 32.8 p90 -97.18 160.45 14.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.823 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.479 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -164.71 164.07 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.419 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 30.4 mt -134.89 158.0 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' VAL . 6.2 ptm180 -150.86 109.78 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' ARG . 51.5 t -34.73 138.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -86.51 148.57 25.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -120.62 -35.71 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.1 p -71.28 -25.83 62.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 4.2 p-80 -147.6 121.51 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.3 p -41.81 108.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 154.89 -144.31 10.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.504 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 4.2 m-85 -141.89 -175.55 4.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 110.956 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.6 m -148.31 106.55 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 2.0 tm? -79.67 130.83 35.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.9 m -141.42 159.65 41.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 30.0 p90 -173.68 153.4 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -69.1 126.45 29.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -118.62 143.26 46.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ALA . 22.7 mm-40 -34.79 -47.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -68.67 -65.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m -174.64 154.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.9 t -42.55 140.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.39 175.61 5.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -150.75 105.12 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.574 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CE2' HG13 ' A' ' 98' ' ' ILE . 24.4 m-85 -103.22 123.99 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.8 ptm -76.97 138.8 39.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.0 t -119.63 114.56 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -87.34 163.89 16.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.535 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 3.3 tt -109.98 102.68 11.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -51.93 -177.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -91.1 -19.68 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -86.69 26.79 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.33 20.98 61.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.4 p -111.35 -175.46 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.535 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 30.7 m-85 -136.43 145.55 45.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.461 ' HE3' ' N ' ' A' ' 81' ' ' VAL . 6.9 ttt -156.0 136.39 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 69.6 mt -79.61 138.92 54.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.682 0.753 . . . . 0.0 111.065 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.83 84.3 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.28 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.66 -18.6 1.13 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -84.49 -178.11 6.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.67 18.65 8.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.47 HG21 ' CE1' ' A' ' 92' ' ' PHE . 3.4 m -146.75 159.54 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.481 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -128.81 -175.45 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.491 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 14.7 m-70 -159.65 156.25 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.845 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.2 p -65.32 -52.82 51.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.6 m -138.9 177.13 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.429 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 2.8 mm? -52.69 -49.6 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.51 -57.2 4.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.36 -7.63 48.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.491 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -100.49 -18.98 16.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.455 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 76.9 t -87.01 -46.7 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.4 m -54.64 -37.69 65.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CE1' HG21 ' A' ' 81' ' ' VAL . 35.8 t80 -73.01 -31.41 64.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -66.91 -30.28 70.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -66.93 -14.21 62.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -116.15 -25.64 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -125.94 116.23 24.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.463 ' N ' HD23 ' A' ' 104' ' ' LEU . 53.4 Cg_endo -69.81 -168.12 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.54 HG13 ' CE2' ' A' ' 64' ' ' PHE . 1.7 mm -98.34 141.24 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.8 tt0 -36.68 -58.68 1.0 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 54.1 Cg_endo -69.72 -46.86 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.734 2.289 . . . . 0.0 112.326 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' ILE . 28.2 mmt180 -103.13 114.64 29.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.85 17.75 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -84.78 134.02 34.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 97' ' ' PRO . 12.7 mt -97.51 179.43 4.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.1 mt -107.9 169.75 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.981 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.462 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 9.1 p -131.61 -59.33 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.402 ' N ' ' OG1' ' A' ' 106' ' ' THR . 12.1 pt20 -146.46 152.83 46.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.28 50.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 41.1 t -79.74 158.49 26.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -115.95 136.25 53.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.01 155.37 20.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.946 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.417 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 5.7 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.649 0.738 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.85 179.63 3.61 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.487 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.0 pt-20 -82.74 -41.95 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.827 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.508 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 62.7 p-90 -58.54 -17.13 18.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.536 ' CE1' ' HA2' ' A' ' 21' ' ' GLY . 44.0 t80 -95.15 95.73 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.403 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 12.6 m-70 -89.95 37.71 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.536 ' HA2' ' CE1' ' A' ' 19' ' ' PHE . . . 46.03 -112.97 0.92 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.29 97.65 5.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.727 0.298 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.411 HG12 ' CB ' ' A' ' 43' ' ' ARG . 31.0 pt -105.61 173.22 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.162 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.405 ' CB ' ' OE2' ' A' ' 26' ' ' GLU . 2.0 m -97.98 160.97 13.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -54.0 -44.61 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 8.6 pm0 -67.04 -30.31 70.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' N ' ' HG2' ' A' ' 26' ' ' GLU . 94.0 m-20 -67.91 -65.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.69 -50.3 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -60.57 -40.71 92.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' ASP . 16.5 m-20 -72.96 -24.68 60.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.24 -27.96 59.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 41' ' ' LEU . 44.7 mt -97.1 -29.15 13.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.7 pt-20 -50.43 -48.65 56.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.2 t -85.61 24.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -126.8 153.88 75.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 149.29 66.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.656 2.238 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD23 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -46.66 135.03 9.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.429 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 106.81 -30.63 9.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 m -46.86 121.0 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.439 ' HB3' ' CD2' ' A' ' 105' ' ' LEU . 33.0 p90 -111.94 161.02 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.517 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -165.64 150.89 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 43' ' ' ARG . 21.3 mt -121.09 141.83 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.44 ' N ' HG21 ' A' ' 42' ' ' ILE . 19.2 ptt85 -135.08 115.89 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' ARG . 72.8 t -37.49 119.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.7 t -72.76 148.25 44.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -117.42 -41.42 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.0 m -56.25 -64.57 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -108.61 143.85 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.6 p -57.37 109.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.92 -151.95 23.95 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -127.06 168.02 15.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.6 m -132.62 106.55 7.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -83.52 145.74 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.8 m -150.66 161.74 42.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE2' ' CE1' ' A' ' 64' ' ' PHE . 6.4 p90 -174.4 147.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -64.0 129.06 38.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -119.85 141.96 49.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 57' ' ' ALA . 19.0 mt-30 -34.26 -44.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 t -73.66 -63.14 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -173.08 163.85 4.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.808 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.5 t -43.08 142.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.8 m -119.2 154.84 32.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -135.81 106.28 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.383 1.052 . . . . 0.0 109.572 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.574 ' CE1' ' CE2' ' A' ' 55' ' ' TYR . 38.5 m-85 -102.32 139.19 38.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.4 ptm -91.75 134.33 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.7 t -115.67 99.57 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -69.39 160.38 31.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.415 HD21 ' CD1' ' A' ' 74' ' ' PHE . 1.7 tm? -114.24 115.23 27.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.99 156.33 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.87 -7.78 43.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -91.9 13.03 19.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.99 19.75 78.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.559 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.5 p -109.76 177.23 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.777 0.322 . . . . 0.0 111.183 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.415 ' CD1' HD21 ' A' ' 68' ' ' LEU . 8.7 m-85 -136.44 126.85 26.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.7 tpt -138.25 144.68 40.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 41.2 mt -94.7 138.53 22.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.4 Cg_endo -69.74 79.91 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 167.62 -36.79 0.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.25 -175.38 2.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -123.79 7.8 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.28 147.64 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.71 -175.42 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.517 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 30.9 m-70 -151.13 155.96 40.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 56.1 p -72.89 -37.85 67.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.5 m -153.82 159.81 41.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 90' ' ' VAL . 3.2 mm? -39.71 -52.07 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -44.74 -55.14 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.66 -11.42 60.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.573 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.72 -20.29 18.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.433 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 99.3 t -85.53 -49.8 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.3 m -54.48 -47.19 73.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -61.69 -41.34 97.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.9 m-70 -58.96 -42.19 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -47.8 -20.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -111.1 -28.07 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.89 117.36 29.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.514 0.673 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -174.32 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.564 HG13 ' CE2' ' A' ' 64' ' ' PHE . 2.2 mm -95.04 141.05 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.083 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.0 OUTLIER -36.3 -58.37 0.98 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.672 0.749 . . . . 0.0 110.902 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 54.2 Cg_endo -69.77 -49.94 0.51 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.599 2.2 . . . . 0.0 112.373 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -100.49 114.89 28.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -5.63 50.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -62.63 138.65 58.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.3 mt -104.67 168.47 9.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 40' ' ' PHE . 35.5 mt -93.72 163.93 13.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.429 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.9 p -130.83 -57.78 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.409 ' N ' ' OG1' ' A' ' 106' ' ' THR . 10.1 pt20 -149.04 151.64 34.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.429 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.1 Cg_endo -69.71 143.45 51.13 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.748 2.299 . . . . 0.0 112.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 9.0 t -76.89 167.98 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.487 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 8.5 mmt180 -124.8 137.61 54.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -51.65 169.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.92 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 14.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.596 0.712 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.3 Cg_endo -69.82 178.46 4.59 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.626 2.217 . . . . 0.0 112.374 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -90.49 -27.58 19.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 61.2 p-90 -73.11 -5.27 38.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.481 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 81.6 t80 -102.4 102.58 12.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -96.11 39.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.481 ' HA2' ' CE2' ' A' ' 19' ' ' PHE . . . 40.25 -104.71 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.09 94.83 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.442 HD12 ' CB ' ' A' ' 28' ' ' ALA . 19.0 pt -103.65 175.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' GLU . 18.8 m -99.53 145.6 27.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' NH1' ' OE2' ' A' ' 29' ' ' GLU . 3.0 tmm_? -39.63 -29.27 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' SER . 8.9 mt-10 -79.22 -49.93 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -51.47 -45.15 62.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' CB ' HD12 ' A' ' 23' ' ' ILE . . . -57.61 -54.16 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 25' ' ' ARG . 18.8 mt-10 -60.6 -38.75 85.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -73.99 -25.34 59.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.27 -27.35 60.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.425 ' CD1' HD13 ' A' ' 41' ' ' LEU . 25.3 mt -97.8 -28.47 13.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 34' ' ' SER . 8.1 pt-20 -51.98 -44.93 64.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 17.8 m -88.19 18.19 4.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -117.36 156.53 48.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 149.76 66.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -49.67 130.26 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.441 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 108.51 -23.3 24.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 m -56.13 119.41 5.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.605 ' CE2' ' CG1' ' A' ' 90' ' ' VAL . 33.4 p90 -108.21 168.33 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.475 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -170.59 162.35 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.465 ' N ' HD22 ' A' ' 41' ' ' LEU . 11.4 mt -132.57 147.31 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 44' ' ' VAL . 18.4 ptt85 -139.82 115.48 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' ARG . 53.0 t -33.94 139.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 t -124.86 130.34 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -95.05 -16.73 22.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 t -52.0 -62.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 50' ' ' GLY . 17.5 p-80 -114.15 43.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' HIS . 9.4 p 34.39 32.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.234 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.602 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -123.1 -127.39 3.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 21.5 m-85 -152.61 162.64 40.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.8 m -124.61 110.8 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 tp -90.56 129.13 36.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.1 m -138.49 161.5 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.46 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 14.0 p90 -169.59 145.76 3.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -63.14 127.57 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -121.3 145.2 48.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 57' ' ' ALA . 20.8 mp0 -35.02 -43.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 t -74.62 -72.25 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -164.94 158.34 17.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.1 t -43.88 137.73 3.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.2 m -111.67 163.87 13.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -143.24 108.54 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.616 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -110.6 135.57 51.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.6 ptm -91.39 141.04 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.7 t -123.8 108.08 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -75.55 169.56 17.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.7 tt -115.17 84.92 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 mt -39.8 144.62 0.18 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.86 -15.94 60.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -86.05 24.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.74 23.43 67.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.4 p -121.93 168.19 12.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.087 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 7.0 m-85 -124.1 136.87 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.1 ttt -149.93 134.86 17.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.5 mt -77.29 132.08 70.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.651 0.738 . . . . 0.0 111.179 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 83.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.318 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.0 -17.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 99' ' ' GLU . 32.5 mm-40 -99.37 -175.97 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.977 0.418 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -121.54 20.44 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.22 157.01 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.416 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -129.38 -177.4 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 12.3 m-70 -155.05 150.51 27.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.2 p -58.6 -48.54 80.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.171 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.564 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 37.4 m -148.83 162.56 39.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.458 HD23 ' CD2' ' A' ' 51' ' ' TYR . 6.1 mp -39.17 -44.91 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -50.08 -61.29 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.67 -7.35 26.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.38 -22.93 16.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.954 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.605 ' CG1' ' CE2' ' A' ' 40' ' ' PHE . 16.4 t -80.0 -46.65 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.0 m -60.49 -40.75 92.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -68.97 -26.06 64.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 5.0 m-70 -73.0 -37.69 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -58.06 -19.23 30.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.409 ' C ' HD22 ' A' ' 104' ' ' LEU . 42.8 mt-30 -110.43 -25.0 10.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -124.58 116.91 26.5 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -175.6 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.623 2.215 . . . . 0.0 112.332 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 99' ' ' GLU . 2.1 mm -93.13 142.6 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.3 tt0 -36.75 -58.51 1.04 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.5 Cg_endo -69.82 -48.73 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.313 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -99.47 114.44 27.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -3.99 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.56 144.64 55.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.409 HD22 ' C ' ' A' ' 95' ' ' GLN . 13.3 mt -107.16 175.19 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 mt -99.84 164.59 11.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.441 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.7 p -124.06 -55.12 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -153.17 152.5 27.98 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.625 0.726 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.59 54.5 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.9 t -76.84 166.28 23.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -122.12 131.7 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -54.51 172.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 44.9 mttm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 12.6 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.696 0.76 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.4 Cg_endo -69.87 176.34 6.99 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.62 2.213 . . . . 0.0 112.345 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' OE2' ' NE ' ' A' ' 110' ' ' ARG . 5.5 pt-20 -88.22 -34.13 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.3 p-90 -69.37 -5.26 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -103.31 94.01 5.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -89.31 34.9 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 46.54 -110.81 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.468 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.37 99.04 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.426 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 12.8 pt -108.74 169.75 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.9 m -96.59 165.12 12.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -43.02 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.67 -37.69 82.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -49.91 69.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.27 -48.92 73.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -66.72 -39.73 88.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -72.22 -23.71 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.13 -28.57 57.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 41' ' ' LEU . 33.5 mt -97.18 -27.53 14.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.528 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.7 pt-20 -51.6 -49.71 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.4 t -85.38 25.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -124.77 154.72 70.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 149.61 66.71 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.688 2.259 . . . . 0.0 112.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -48.94 130.81 18.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 109.48 -22.41 24.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -57.47 120.15 7.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.384 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.529 ' CE2' ' CG1' ' A' ' 90' ' ' VAL . 44.6 p90 -111.87 164.42 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.554 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -167.14 155.43 9.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 43' ' ' ARG . 57.7 mt -125.58 142.95 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' HG23 ' A' ' 42' ' ' ILE . 15.6 ptt85 -132.73 114.44 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' ARG . 94.4 t -35.3 130.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -113.92 91.62 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -65.61 -25.12 67.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.776 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -46.62 -67.01 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 49' ' ' VAL . 2.1 p-80 -101.78 43.65 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 48' ' ' HIS . 7.2 p 32.56 37.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -134.95 -131.9 3.11 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.617 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 12.9 m-85 -151.89 169.43 22.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.014 0.435 . . . . 0.0 110.976 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.1 m -134.86 122.87 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.7 tp -96.65 133.97 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 m -144.27 161.24 39.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.429 ' HB3' ' CB ' ' A' ' 40' ' ' PHE . 48.5 p90 -170.63 150.9 3.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -64.75 129.18 38.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -120.16 146.74 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' ALA . 16.4 mm-40 -35.24 -49.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -70.43 -65.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.2 t -167.13 173.91 8.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 79.3 m -55.56 133.91 50.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.5 m -109.25 161.51 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -141.03 122.58 15.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.617 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -127.47 106.7 9.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -65.63 148.48 51.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.3 t -127.85 114.43 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -81.16 159.15 24.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.559 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 2.2 tt -103.47 95.27 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.442 HD23 ' CB ' ' A' ' 75' ' ' MET . 2.9 mm? -45.35 165.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -76.07 -20.35 57.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 71' ' ' ASP . 14.4 t0 -84.77 21.1 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.93 9.34 59.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.527 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.411 ' C ' HD21 ' A' ' 69' ' ' LEU . 81.1 p -99.4 -177.36 3.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 111.15 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.559 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 55.1 m-85 -132.22 145.97 51.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.442 ' CB ' HD23 ' A' ' 69' ' ' LEU . 7.1 ttt -155.16 146.49 22.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 80.1 mt -93.46 138.43 23.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.556 0.694 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 54.3 Cg_endo -69.74 79.96 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.06 -19.92 0.49 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -88.74 179.68 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.64 17.17 10.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.16 161.14 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -135.45 179.15 6.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.516 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 21.0 m-70 -150.24 162.76 39.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.5 p -72.29 -53.45 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -136.53 154.6 50.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 86' ' ' LEU . 7.0 mp -38.0 -45.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -49.13 -58.29 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.64 -7.39 38.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.516 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.57 -25.29 15.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.529 ' CG1' ' CE2' ' A' ' 40' ' ' PHE . 80.5 t -79.49 -51.14 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 96.1 m -55.04 -47.87 74.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.448 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 38.6 t80 -60.71 -37.79 82.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 3.9 m-70 -58.55 -48.77 79.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -43.0 -24.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 93' ' ' HIS . 47.6 mt-30 -108.21 -22.46 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 3.9 mmmt -127.08 108.43 21.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.67 -167.8 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.41 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.3 mm -92.94 144.56 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.1 tt0 -39.26 -58.52 1.83 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.656 0.741 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.9 Cg_endo -69.67 -49.73 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -98.52 115.75 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -16.64 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.5 126.59 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 93' ' ' HIS . 12.9 mt -93.84 173.36 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.3 mt -91.5 172.68 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.458 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.8 p -131.72 -58.57 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.427 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.9 pt20 -150.3 150.52 29.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 143.89 51.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 17.2 t -80.45 164.73 22.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.456 ' NE ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 mmt85 -120.22 139.42 52.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -55.8 161.94 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.835 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.412 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 9.1 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.682 0.753 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.7 Cg_endo -69.71 176.77 6.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -82.52 -39.66 22.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.567 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 62.9 p-90 -60.38 -19.52 56.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -93.28 88.0 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -85.54 36.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.08 -148.11 6.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.538 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.15 81.08 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 111.055 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 pt -87.78 171.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -90.55 171.75 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -60.64 -40.62 92.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.14 -38.08 69.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.52 -53.95 52.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.85 -48.72 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -64.3 -39.36 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -72.79 -29.34 63.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mt -70.39 -29.83 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' CD1' HD13 ' A' ' 41' ' ' LEU . 71.1 mt -93.52 -34.77 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 34' ' ' SER . 4.6 pt-20 -46.64 -47.31 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.496 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.1 t -88.16 27.21 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -126.7 156.0 74.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 149.18 66.63 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.65 2.234 . . . . 0.0 112.393 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -48.82 132.03 18.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.457 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 108.95 -29.22 9.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -47.85 115.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.918 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.667 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 19.9 p90 -109.68 149.99 28.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.56 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -156.92 158.71 37.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.46 HD13 ' CE3' ' A' ' 18' ' ' TRP . 88.1 mt -124.44 155.0 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.402 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 23.6 ptt85 -147.42 127.22 13.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -51.79 128.92 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -76.03 165.7 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -126.32 -55.71 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.6 t -49.73 -51.96 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -122.21 132.13 54.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.59 125.48 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.84 -144.84 13.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.478 ' CD2' HD21 ' A' ' 86' ' ' LEU . 9.4 m-85 -139.15 175.2 9.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.958 0.409 . . . . 0.0 110.956 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.5 m -141.16 107.07 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.108 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 93' ' ' HIS . 3.8 tp -82.91 146.18 28.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.9 m -153.66 165.89 34.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -175.23 145.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -64.49 121.5 14.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -114.77 144.09 44.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ALA . 32.3 mm-40 -35.06 -41.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.94 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -74.78 -68.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.2 m -169.86 166.6 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 88.7 m -51.72 131.75 30.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.7 m -110.17 151.15 27.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -132.57 113.92 13.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.635 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.547 ' CZ ' HG13 ' A' ' 98' ' ' ILE . 11.4 m-85 -111.87 129.57 56.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.4 ptm -84.99 140.89 30.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.9 t -123.69 118.14 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -89.02 164.1 15.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -104.05 113.5 27.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.11 166.29 20.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.76 -23.68 60.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.36 27.59 0.69 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.15 28.83 59.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -116.88 -177.32 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -136.02 138.01 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.463 ' HE1' ' N ' ' A' ' 81' ' ' VAL . 6.6 ttt -146.67 141.65 27.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.7 mt -83.98 137.12 40.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.68 0.752 . . . . 0.0 111.075 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 85.15 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.731 2.287 . . . . 0.0 112.337 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.72 -22.1 1.03 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -83.61 -175.72 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -126.87 17.45 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.463 ' N ' ' HE1' ' A' ' 75' ' ' MET . 6.3 m -145.0 162.22 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.56 -178.35 5.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.449 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 32.2 m-70 -153.85 161.91 41.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.3 p -71.22 -52.09 20.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 86' ' ' LEU . 4.1 m -140.72 155.95 46.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.478 HD21 ' CD2' ' A' ' 51' ' ' TYR . 1.9 mm? -35.88 -47.04 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -47.28 -61.98 1.64 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.48 -10.93 38.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.54 -20.91 18.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.667 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 74.9 t -80.17 -42.33 21.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.9 m -60.43 -52.95 63.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.468 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 32.2 t80 -55.85 -37.41 68.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 6.2 m-70 -59.12 -40.75 86.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -57.43 -15.58 7.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -112.58 -30.09 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.468 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 11.1 mmmt -122.15 118.52 29.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.524 0.678 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -175.89 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.249 . . . . 0.0 112.314 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.547 HG13 ' CZ ' ' A' ' 64' ' ' PHE . 3.2 mm -92.68 137.23 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.0 OUTLIER -34.15 -58.4 0.61 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.9 Cg_endo -69.77 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.294 . . . . 0.0 112.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -96.49 114.17 25.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 102' ' ' ARG . 5.2 ppt_? -85.05 36.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -109.15 136.58 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.45 169.59 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.3 mt -95.37 173.65 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.457 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 11.2 p -133.69 -62.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.435 ' N ' ' OG1' ' A' ' 106' ' ' THR . 20.6 pt20 -147.75 152.67 41.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.72 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.445 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.1 Cg_endo -69.73 142.26 47.58 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.724 2.282 . . . . 0.0 112.283 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 44.4 t -74.53 162.49 28.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 108' ' ' PRO . 11.2 mmt-85 -118.04 131.15 56.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -58.86 147.9 32.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.659 0.742 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -172.97 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.721 2.28 . . . . 0.0 112.342 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -95.53 -39.29 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -62.44 -9.11 7.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -100.17 89.87 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -88.5 33.92 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.81 -128.25 15.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.54 97.38 7.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 111.171 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.451 ' CG1' ' CB ' ' A' ' 43' ' ' ARG . 12.3 pt -113.94 170.53 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ARG . 6.5 t -100.98 147.31 26.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' SER . 26.5 ttp180 -37.2 -49.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 12.1 pt-20 -54.21 -48.23 71.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 6.5 m-20 -59.62 -61.51 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.02 -46.83 33.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -64.33 -36.91 85.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -72.32 -28.84 63.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.412 ' CD2' ' HG2' ' A' ' 112' ' ' LYS . 3.9 mt -72.13 -30.41 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 41' ' ' LEU . 53.5 mt -91.09 -25.23 19.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 34' ' ' SER . 4.5 pt-20 -55.24 -38.49 68.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.412 ' N ' ' HG2' ' A' ' 33' ' ' GLU . 3.2 m -97.34 21.27 10.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -119.33 156.39 52.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.57 0.7 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.0 69.3 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.421 HD22 ' C ' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -52.4 128.17 24.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 111.0 -19.42 25.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.426 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.3 m -59.51 116.35 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 0.0 110.78 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.454 ' HA ' ' CB ' ' A' ' 55' ' ' TYR . 24.7 p90 -106.55 158.23 17.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.84 146.45 9.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 43' ' ' ARG . 78.5 mt -116.73 149.68 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' CB ' ' CG1' ' A' ' 23' ' ' ILE . 16.6 ptt85 -140.95 114.18 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.792 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' ARG . 43.4 t -34.9 128.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -87.06 150.69 23.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -120.76 -43.26 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.7 p -48.38 -51.53 26.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -127.67 153.03 46.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.49 114.58 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.52 -151.14 23.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.459 ' CD2' HD13 ' A' ' 86' ' ' LEU . 43.0 m-85 -135.71 169.63 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.01 0.433 . . . . 0.0 110.839 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.1 m -129.76 115.47 17.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.212 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.53 141.41 28.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.431 ' OG ' ' ND1' ' A' ' 63' ' ' HIS . 18.7 m -149.4 164.92 33.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.486 ' CD2' HD23 ' A' ' 105' ' ' LEU . 17.8 p90 -175.08 148.41 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -65.84 129.61 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.421 ' C ' HD22 ' A' ' 37' ' ' LEU . . . -122.15 149.15 44.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -39.58 -40.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.4 m -77.64 -69.21 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.8 p -167.12 166.11 15.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.9 p -47.48 133.08 13.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 29.9 m -109.49 148.87 30.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.431 ' ND1' ' OG ' ' A' ' 54' ' ' SER . 96.2 m-70 -132.1 122.86 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.602 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -124.89 132.66 53.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.814 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.7 ptm -88.15 141.81 28.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 48.1 t -121.16 111.6 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -78.6 162.67 26.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 tt -110.34 97.72 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.409 HD22 ' C ' ' A' ' 73' ' ' THR . 2.8 mm? -52.31 175.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.89 -23.32 33.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -85.25 28.39 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.93 29.72 62.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.409 ' C ' HD22 ' A' ' 69' ' ' LEU . 67.0 p -116.27 179.74 3.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 0.0 111.159 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.417 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 16.2 m-85 -135.48 137.79 42.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.436 ' HE3' ' N ' ' A' ' 81' ' ' VAL . 3.2 ttt -150.01 126.24 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 57.1 mt -71.08 138.4 84.77 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.64 0.733 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.9 Cg_endo -69.73 94.92 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.722 2.281 . . . . 0.0 112.386 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.4 -23.09 1.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.538 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -90.03 179.07 6.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 2.7 mppt? -120.78 21.12 11.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.436 ' N ' ' HE3' ' A' ' 75' ' ' MET . 1.1 m -143.3 169.98 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.77 177.85 8.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 21.8 m-70 -147.66 161.89 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.9 p -67.84 -54.22 20.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' LEU . 2.9 m -143.72 159.45 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' A' ' 51' ' ' TYR . 32.4 mt -37.84 -46.49 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.17 -56.41 9.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.36 -9.72 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.526 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.36 -18.58 19.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.931 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 86' ' ' LEU . 42.2 t -82.76 -28.58 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.0 m -75.27 -48.08 24.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -62.69 -29.57 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.408 ' O ' ' CD2' ' A' ' 104' ' ' LEU . 3.4 m-70 -69.15 -36.4 77.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.49 -12.0 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -115.84 -32.19 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -119.25 118.46 32.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.525 0.679 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.456 ' N ' HD22 ' A' ' 104' ' ' LEU . 53.5 Cg_endo -69.78 -172.12 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.382 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.46 ' CG2' ' HD2' ' A' ' 100' ' ' PRO . 3.1 mm -95.24 141.58 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -35.53 -58.31 0.83 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.651 0.738 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.7 Cg_endo -69.82 -50.24 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.252 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -99.71 115.69 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -8.0 57.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.32 142.84 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 97' ' ' PRO . 13.6 mt -105.2 -175.24 2.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 55' ' ' TYR . 45.3 mt -107.22 171.28 7.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.465 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 6.8 p -134.56 -57.7 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -149.84 151.92 33.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.733 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 142.85 49.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.616 2.21 . . . . 0.0 112.349 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.7 155.37 33.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -115.49 135.48 54.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -53.04 168.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.412 ' HG2' ' CD2' ' A' ' 31' ' ' LEU . 29.6 mmtt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.48 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 7.9 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.638 0.732 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 54.3 Cg_endo -69.71 178.49 4.49 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -89.14 -40.22 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.408 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 59.0 p-90 -57.23 -12.79 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -94.72 82.55 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 15.6 m-70 -82.3 42.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 38.91 -146.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.0 96.06 10.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.694 0.283 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.447 ' CG1' ' CB ' ' A' ' 43' ' ' ARG . 12.5 pt -105.12 170.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ASP . 2.2 t -96.67 141.95 29.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 24' ' ' SER . 7.4 ttm-85 -35.52 -38.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.27 -45.94 75.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 6.6 m-20 -57.74 -54.67 44.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.93 -59.23 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.86 -43.7 81.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -68.36 -21.52 64.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.21 -33.35 43.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 41' ' ' LEU . 15.2 mt -92.02 -26.31 18.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.526 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.1 pt-20 -50.9 -49.43 59.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.526 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 3.6 m -86.79 21.61 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -119.05 155.39 53.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.563 0.696 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 151.24 69.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -51.48 127.57 20.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.442 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 112.55 -22.19 17.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m -57.32 115.54 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.464 ' CG ' HD13 ' A' ' 105' ' ' LEU . 39.6 p90 -107.5 163.63 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.53 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -168.93 154.99 6.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 43' ' ' ARG . 63.9 mt -127.45 143.08 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.471 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -137.1 140.0 41.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 t -55.05 125.05 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -82.96 166.35 18.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -127.28 -31.07 2.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -63.46 -61.57 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 65' ' ' MET . 6.8 p-80 -107.01 159.06 16.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.6 t -77.73 104.98 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.517 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 156.25 -125.93 1.71 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 26.2 m-85 -149.67 -175.65 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.009 0.433 . . . . 0.0 110.875 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.413 HG22 ' NH1' ' A' ' 43' ' ' ARG . 96.4 m -151.0 129.88 12.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.105 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -101.51 145.1 29.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -152.45 149.74 28.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.42 ' CD2' ' CD2' ' A' ' 105' ' ' LEU . 17.1 p90 -159.72 152.23 21.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -64.8 128.67 36.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -119.33 141.44 49.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.448 ' N ' HD23 ' A' ' 37' ' ' LEU . 20.2 mt-30 -35.88 -38.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -80.92 -62.57 1.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 p -171.8 161.02 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.0 m -45.54 141.55 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.8 p -117.26 157.25 26.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -137.15 124.74 22.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.596 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.518 ' CZ ' HG13 ' A' ' 98' ' ' ILE . 23.3 m-85 -124.25 127.34 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.429 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 23.7 ptm -84.39 135.67 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.92 105.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.071 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -80.91 157.95 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.28 96.63 6.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.945 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' ' 73' ' ' THR . 1.0 OUTLIER -49.48 177.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.48 -22.81 28.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -77.72 3.31 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.87 12.75 76.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.382 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.416 ' C ' HD22 ' A' ' 69' ' ' LEU . 73.0 p -106.25 172.39 6.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.123 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 5.7 m-85 -123.46 130.52 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.401 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 4.4 ttt -139.26 134.29 32.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 81.7 mt -83.93 138.74 40.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.2 Cg_endo -69.75 80.97 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.25 -16.03 0.42 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' C ' ' HD3' ' A' ' 80' ' ' LYS . 22.2 mm-40 -94.9 158.92 15.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.986 0.422 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 20.8 mmtt -100.16 19.01 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.53 159.07 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.4 -175.06 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 14.2 m-70 -151.69 150.6 30.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 p -56.62 -42.79 79.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.516 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 59.9 m -156.36 173.17 17.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 mp -48.49 -47.41 38.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -49.24 -56.43 9.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.25 43.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -100.03 -14.61 18.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.6 t -87.69 -40.29 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.5 m -65.07 -38.89 92.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -71.88 -29.56 64.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -72.54 -27.32 62.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.69 -19.23 65.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -111.38 -27.73 8.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -122.86 119.1 28.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -176.0 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.26 . . . . 0.0 112.311 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.518 HG13 ' CZ ' ' A' ' 64' ' ' PHE . 3.0 mm -94.95 146.14 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.2 tt0 -39.84 -58.4 2.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 54.3 Cg_endo -69.8 -50.63 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' ILE . 16.9 mmt180 -97.79 116.93 30.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.66 12.48 8.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.24 137.68 33.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.3 mt -99.05 167.66 10.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.464 HD13 ' CG ' ' A' ' 40' ' ' PHE . 47.6 mt -95.39 164.82 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.442 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 3.6 p -129.25 -55.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -151.85 152.05 29.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 142.96 49.27 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 20.5 t -78.89 162.66 25.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -117.53 135.68 53.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 112' ' ' LYS . 4.4 pt20 -61.68 137.98 58.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 111' ' ' GLN . 12.5 mtpt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 121.671 0.748 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -173.56 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.375 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -92.77 -27.2 17.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -78.07 -4.21 46.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -109.02 88.92 2.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -82.88 40.19 0.67 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 40.05 -100.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.92 97.99 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 pt -106.94 -177.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' ASP . 19.6 m -109.65 141.62 41.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' SER . 3.3 tmm_? -35.81 -34.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' SER . 13.0 pt-20 -70.49 -47.26 61.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -58.74 -51.71 68.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.58 -56.7 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -56.22 -42.07 76.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -71.16 -25.61 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CD2' ' HG3' ' A' ' 112' ' ' LYS . 5.8 mt -73.77 -28.31 61.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 41' ' ' LEU . 22.3 mt -97.2 -30.33 13.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.8 pt-20 -50.77 -47.83 59.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.4 t -87.57 25.54 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -124.93 154.3 71.03 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 149.47 66.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -48.64 129.2 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 112.08 -24.53 14.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -55.04 117.83 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.974 0.416 . . . . 0.0 110.856 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.485 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 25.0 p90 -109.32 156.8 19.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.527 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -164.11 149.62 10.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 43' ' ' ARG . 66.3 mt -120.84 151.94 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.443 ' N ' HG23 ' A' ' 42' ' ' ILE . 19.2 ptt85 -142.79 121.32 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.9 t -40.42 126.26 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -80.92 158.61 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -127.83 -41.41 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 98.8 p -57.8 -50.8 72.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 65' ' ' MET . 6.8 p-80 -124.21 128.33 49.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -43.87 130.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 130.33 -138.76 10.43 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CD2' HD13 ' A' ' 86' ' ' LEU . 15.0 m-85 -143.19 170.63 15.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.015 0.436 . . . . 0.0 110.924 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.0 m -133.2 121.08 22.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.66 142.34 27.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 m -154.62 153.55 31.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.422 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 52.8 p90 -162.92 167.91 21.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -81.71 126.82 32.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -121.39 144.87 48.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' HD23 ' A' ' 37' ' ' LEU . 13.3 mm-40 -34.12 -49.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.8 t -65.16 -66.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m -174.99 167.74 3.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.5 m -49.44 132.22 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 t -117.81 167.48 11.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -141.74 148.85 39.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.524 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.568 ' CE2' HG13 ' A' ' 98' ' ' ILE . 37.6 m-85 -143.64 130.93 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.561 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 23.1 ptm -86.07 139.88 30.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 98.6 t -124.41 107.71 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -78.0 172.28 13.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.573 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 tt -115.63 101.9 9.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.418 HD21 ' C ' ' A' ' 73' ' ' THR . 2.9 mm? -51.55 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.29 -24.99 20.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -80.94 10.51 4.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.67 17.39 77.57 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.567 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.418 ' C ' HD21 ' A' ' 69' ' ' LEU . 65.9 p -104.08 -178.02 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.841 0.353 . . . . 0.0 111.126 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 27.6 m-85 -135.59 122.28 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 5.5 ttt -131.79 138.16 48.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 51.3 mt -84.83 138.44 37.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 111.083 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.9 Cg_endo -69.68 81.88 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.386 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.07 -25.37 0.61 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.496 ' O ' ' CE ' ' A' ' 75' ' ' MET . 13.5 mm-40 -87.55 158.48 18.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.884 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 79' ' ' GLU . 12.1 mmmt -102.24 28.65 5.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.61 160.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.13 -175.82 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.516 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 11.7 m-70 -153.03 154.57 35.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.0 p -62.39 -54.19 43.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.471 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 6.0 m -145.24 162.62 36.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.524 HD13 ' CD2' ' A' ' 51' ' ' TYR . 85.5 mt -35.75 -51.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -58.69 3.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.08 -7.83 39.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.59 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.63 -21.63 17.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.485 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 69.7 t -82.34 -49.26 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.8 m -56.77 -51.71 67.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -56.6 -38.96 72.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.0 m-70 -60.44 -44.02 96.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -50.32 -21.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -110.73 -24.58 10.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.0 112.8 26.74 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.639 0.733 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -175.88 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.365 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.568 HG13 ' CE2' ' A' ' 64' ' ' PHE . 1.6 mm -83.3 158.86 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -53.42 -58.57 12.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 110.84 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.6 Cg_endo -69.72 -51.1 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER -75.95 166.39 23.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.86 -21.26 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -67.82 143.89 55.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.4 mt -104.63 -176.7 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.6 mt -98.82 168.55 10.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.466 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 9.0 p -132.9 -60.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLN . . . . . 0.424 ' N ' ' OG1' ' A' ' 106' ' ' THR . 13.2 pt20 -146.62 149.62 37.45 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.604 0.716 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.439 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.2 Cg_endo -69.7 143.17 50.25 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.2 t -79.21 163.14 25.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 108' ' ' PRO . 11.2 mmt-85 -114.82 136.77 52.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -66.69 153.61 42.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.401 ' HG3' ' CD2' ' A' ' 31' ' ' LEU . 30.1 mtmt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -113.78 42.01 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.9 p -80.74 144.78 31.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.74 158.54 48.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 m -145.83 158.94 43.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.813 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -96.31 -45.83 6.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.78 132.66 2.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.427 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.72 166.61 32.03 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.41 96.89 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.8 tp -104.67 117.87 35.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.67 149.14 41.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.406 ' CD ' ' O ' ' A' ' 12' ' ' GLN . 2.3 pp0? -109.43 42.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -145.82 166.36 26.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.48 45.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 14.8 p -143.04 136.89 14.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.644 0.735 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 54.0 Cg_endo -69.72 174.43 9.48 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.419 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.63 -40.67 14.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -60.38 -12.59 9.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -96.94 92.96 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 22' ' ' ALA . 19.5 m-70 -90.04 39.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 40.17 -97.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -134.31 105.47 6.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.75 0.31 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 51.0 pt -115.12 172.74 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 27' ' ' ASP . 70.0 m -97.12 142.38 29.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' SER . 5.1 ttm180 -34.61 -39.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -71.83 -47.09 55.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' SER . 6.0 m-20 -48.72 -50.56 33.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.42 ' HB1' ' NH1' ' A' ' 43' ' ' ARG . . . -56.79 -62.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -50.18 -32.08 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -79.83 -26.29 40.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' CD2' ' HG2' ' A' ' 112' ' ' LYS . 3.8 mt -74.03 -26.18 60.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.3 mt -97.31 -28.94 13.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.0 pt-20 -50.37 -47.78 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.2 t -86.83 16.87 4.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 87.4 mm-40 -117.25 153.77 50.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.543 0.687 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 149.54 67.03 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.761 2.308 . . . . 0.0 112.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.437 HD21 ' N ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -46.42 133.09 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.439 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 108.59 -30.45 8.8 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.8 m -49.69 117.58 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.551 ' CE1' HG11 ' A' ' 90' ' ' VAL . 32.2 p90 -108.93 167.86 9.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' N ' HD13 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -169.6 160.1 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 46.9 mt -133.49 148.5 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.545 ' NH2' ' CE1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -141.29 135.18 30.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.5 t -50.76 122.46 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 t -89.14 123.78 33.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -91.9 -46.72 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.5 m -43.45 -61.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -121.04 126.04 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 p -41.39 133.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.87 -129.01 5.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -155.0 179.95 8.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.975 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.9 m -140.71 106.63 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.524 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 1.8 tm? -83.33 128.58 34.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.9 m -139.52 160.99 38.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.468 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 32.5 p90 -172.08 156.82 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -69.92 129.69 40.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -121.78 145.57 47.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 57' ' ' ALA . 5.2 mm-40 -34.87 -50.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -70.32 -60.2 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m -174.3 169.29 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.4 t -48.66 136.77 12.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.466 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 99.1 m -111.89 145.81 38.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.545 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 88.2 m-70 -125.65 118.24 25.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.589 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 62' ' ' CYS . 25.8 m-85 -120.95 122.82 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.6 ptm -77.37 141.19 39.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -121.62 114.5 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 3.4 mtmp? -84.16 166.6 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.431 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -117.01 95.66 5.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -52.19 161.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -74.05 -20.28 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.45 9.17 4.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.3 18.67 79.08 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.0 p -112.53 -175.72 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.552 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 15.6 m-85 -137.11 139.9 41.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.426 ' HE1' ' N ' ' A' ' 81' ' ' VAL . 5.0 ttt -154.23 129.66 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 86.0 mt -71.05 138.61 84.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.75 86.68 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.768 2.312 . . . . 0.0 112.312 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.21 -11.7 1.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -93.42 -175.29 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -125.65 9.72 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.426 ' N ' ' HE1' ' A' ' 75' ' ' MET . 0.3 OUTLIER -136.79 160.3 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -131.92 -177.6 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.511 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 17.0 m-70 -154.98 144.5 21.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.3 p -52.89 -39.72 62.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.552 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 13.0 m -157.78 173.49 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.9 mt -49.27 -45.29 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.87 -57.78 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.9 -7.01 42.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.511 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -99.16 -23.9 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.551 HG11 ' CE1' ' A' ' 40' ' ' PHE . 84.5 t -78.71 -34.5 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 81.3 m -68.97 -44.74 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -67.56 -27.63 67.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -72.81 -25.41 61.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -70.5 -16.44 62.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.416 ' C ' HD21 ' A' ' 104' ' ' LEU . 44.9 mt-30 -113.4 -29.4 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.461 ' N ' HD21 ' A' ' 104' ' ' LEU . 11.0 mmmt -122.27 121.1 27.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -166.51 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.5 mm -101.44 144.74 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.7 tt0 -38.86 -58.67 1.62 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 54.3 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.236 . . . . 0.0 112.316 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -99.57 117.66 34.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.23 16.46 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -85.88 139.47 31.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.461 HD21 ' N ' ' A' ' 96' ' ' LYS . 12.9 mt -104.17 177.63 4.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 41.3 mt -104.24 166.62 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.439 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.4 p -130.29 -55.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -151.85 151.73 28.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 144.02 52.81 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 42.9 t -76.05 161.01 29.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -118.08 131.86 56.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -49.12 162.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.468 ' HG2' ' CD2' ' A' ' 31' ' ' LEU . 24.8 mmmt -85.52 25.46 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -146.76 160.94 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.2 t -78.79 -55.06 5.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 96.34 80.58 1.53 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -41.47 4.15 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.339 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.3 m -159.98 163.47 34.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.8 t -43.91 -55.72 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -144.95 167.08 23.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.844 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 m -152.29 148.53 27.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.61 78.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.8 t -140.56 121.8 14.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.922 0.391 . . . . 0.0 110.731 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -145.18 168.11 21.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.58 158.14 2.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.416 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 154.33 139.69 2.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -162.35 154.18 18.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.8 mt -113.68 136.13 53.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.55 133.59 38.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.034 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -53.59 114.85 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -148.26 166.53 27.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.34 28.96 4.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.473 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 7.6 p -138.26 138.18 22.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.666 0.746 . . . . 0.0 111.086 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.3 Cg_endo -69.75 176.02 7.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -88.27 -40.41 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.413 ' CE3' HD12 ' A' ' 42' ' ' ILE . 62.5 p-90 -58.17 -11.87 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -92.8 85.68 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.546 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 40.2 m-70 -86.73 28.76 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.05 -130.94 32.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -111.54 89.34 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 111.069 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.2 pt -98.22 174.08 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 27' ' ' ASP . 48.5 m -94.39 144.2 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -39.63 -43.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.13 -41.94 99.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' SER . 63.6 m-20 -60.37 -65.19 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.79 -55.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -54.9 -42.81 72.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -69.83 -25.2 63.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mt -74.76 -27.86 60.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.442 ' CD1' HD11 ' A' ' 41' ' ' LEU . 56.9 mt -98.55 -28.37 13.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.1 pt-20 -52.17 -48.47 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.0 t -83.49 13.03 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -114.16 154.57 46.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 152.93 69.11 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.72 2.28 . . . . 0.0 112.309 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -51.64 125.94 16.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.455 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 115.97 -26.97 8.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.447 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.9 m -54.22 116.34 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.647 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 15.6 p90 -108.44 153.12 23.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.551 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -160.25 143.57 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.434 ' CG1' HD11 ' A' ' 53' ' ' LEU . 97.2 mt -110.91 148.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' VAL . 14.4 ptt85 -140.19 109.18 6.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' ARG . 60.0 t -37.3 135.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.4 t -99.21 158.23 15.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -120.68 -49.85 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.4 m -44.79 -43.53 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -125.56 141.56 51.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.33 116.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.61 -142.21 11.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.434 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -138.53 -179.01 5.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 0.0 110.893 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.1 m -143.66 119.9 10.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.434 HD11 ' CG1' ' A' ' 42' ' ' ILE . 6.1 tp -96.44 149.83 21.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.418 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 38.4 m -156.26 164.87 37.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.801 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -174.34 151.8 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -66.74 123.13 19.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.417 ' C ' HD23 ' A' ' 37' ' ' LEU . . . -115.32 144.55 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.107 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' N ' HD23 ' A' ' 37' ' ' LEU . 20.0 mm-40 -36.88 -46.5 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.5 p -72.76 -64.89 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -170.95 161.38 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -48.3 144.23 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.424 ' SG ' ' CZ ' ' A' ' 64' ' ' PHE . 2.8 t -120.69 163.66 17.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -142.28 112.16 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.668 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.491 ' CE2' HG13 ' A' ' 98' ' ' ILE . 4.7 m-85 -110.57 131.91 54.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.2 ptm -87.31 139.95 30.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.0 t -122.22 119.95 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -93.06 173.93 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.813 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.567 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 2.4 tt -116.95 99.48 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -51.47 -177.44 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -92.73 -22.25 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 71' ' ' ASP . 15.3 p-10 -80.33 8.52 7.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.64 48.82 7.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.3 p -142.7 165.76 26.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.175 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 2.2 m-85 -126.52 118.87 25.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.9 ptm -131.55 161.43 32.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 22.2 mt -94.33 138.67 22.39 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.639 0.733 . . . . 0.0 111.189 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.78 86.06 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.749 2.299 . . . . 0.0 112.281 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.89 -16.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.65 -179.35 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -120.05 20.62 12.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.2 m -148.53 152.05 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.45 -176.08 3.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.509 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 9.6 m-70 -148.36 147.15 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.3 p -53.24 -51.44 62.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.47 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 16.7 m -147.98 164.67 33.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.2 mt -39.21 -43.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -50.88 -61.75 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.31 -4.56 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.509 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -99.38 -25.14 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.647 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 93.3 t -79.03 -37.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.5 m -67.9 -53.31 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 20.5 t80 -53.91 -28.21 35.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 6.0 m-70 -70.07 -36.9 75.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -58.81 -15.51 12.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.404 ' C ' HD22 ' A' ' 104' ' ' LEU . 39.5 mt-30 -115.04 -28.68 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -123.27 117.9 27.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -167.79 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.411 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.491 HG13 ' CE2' ' A' ' 64' ' ' PHE . 3.0 mm -101.58 139.47 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.072 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.0 tt0 -34.59 -58.65 0.65 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 121.631 0.729 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.5 Cg_endo -69.74 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.623 2.215 . . . . 0.0 112.298 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 98' ' ' ILE . 2.3 mmp_? -99.39 116.56 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -84.64 16.13 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -84.43 134.62 34.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 95' ' ' GLN . 11.6 mt -96.55 169.85 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.6 mt -97.57 165.51 11.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.455 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 5.4 p -125.63 -57.72 1.44 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.406 ' N ' ' OG1' ' A' ' 106' ' ' THR . 8.2 pt20 -152.03 153.68 31.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.651 0.739 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 145.34 57.36 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 35.9 t -82.57 161.51 22.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -113.09 145.38 41.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -70.79 151.6 44.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.87 171.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.86 106.07 10.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.4 m -59.44 -63.51 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.784 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 174.84 145.31 5.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.487 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 178.89 4.16 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.735 2.29 . . . . 0.0 112.321 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.6 t -125.45 120.88 32.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.7 p -91.83 -48.61 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.533 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -81.31 155.45 26.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.9 m -75.27 -54.55 6.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.02 100.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.521 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 m -154.85 172.88 17.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 p 41.33 44.19 2.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.805 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.38 -179.75 16.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.524 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.2 -165.6 5.42 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -136.81 131.21 32.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.941 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mt -124.59 39.53 3.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.12 -40.38 10.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -84.93 98.63 10.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -133.85 108.44 8.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.1 49.65 0.87 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 13.9 p -146.2 136.83 12.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.596 0.712 . . . . 0.0 111.086 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.538 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.7 Cg_endo -69.76 163.82 36.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.1 pt-20 -78.19 -30.28 48.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.538 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 58.9 p-90 -70.8 -5.21 28.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.474 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 76.0 t80 -102.83 93.02 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -87.78 38.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.474 ' HA2' ' CE2' ' A' ' 19' ' ' PHE . . . 45.54 -106.44 0.12 Allowed Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.485 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.11 98.21 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.408 HD13 ' CA ' ' A' ' 28' ' ' ALA . 23.0 pt -108.51 169.92 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 t -95.13 152.93 17.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -49.63 -26.77 3.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.84 -36.66 28.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.72 -54.97 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.408 ' CA ' HD13 ' A' ' 23' ' ' ILE . . . -47.95 -58.01 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -56.58 -35.11 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -73.85 -26.88 60.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.7 mt -74.94 -29.69 61.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.434 ' CD1' HD12 ' A' ' 41' ' ' LEU . 15.8 mt -92.81 -25.52 18.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.4 pt-20 -53.26 -43.91 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.9 m -90.13 18.43 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -117.58 156.02 49.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 148.96 66.44 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.431 HD12 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -47.53 134.49 12.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.99 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.456 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 105.56 -25.59 23.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.432 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m -52.96 115.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.486 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 32.8 p90 -105.65 166.25 10.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -169.08 158.2 8.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.457 HG23 ' N ' ' A' ' 43' ' ' ARG . 18.4 mt -128.74 141.55 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.457 ' N ' HG23 ' A' ' 42' ' ' ILE . 6.3 ptm180 -131.88 112.76 12.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ARG . 54.2 t -34.11 133.25 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.1 m -80.86 164.22 22.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -131.58 -51.82 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -53.53 -56.18 19.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.779 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -118.74 134.1 55.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 p -51.96 124.86 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.616 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 144.39 -133.24 5.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.425 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 21.0 m-85 -153.79 172.96 16.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.398 . . . . 0.0 110.947 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.1 m -134.6 116.36 14.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.425 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 2.2 tm? -88.81 131.59 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.413 ' OG ' ' ND1' ' A' ' 63' ' ' HIS . 2.9 m -143.48 157.75 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.775 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.465 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 31.4 p90 -169.54 162.2 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -79.61 124.96 29.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -117.24 146.94 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' ALA . 10.7 mt-30 -34.29 -51.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -69.28 -60.37 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m -174.94 172.04 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.809 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.75 141.74 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.436 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 99.6 m -116.74 146.58 42.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.413 ' ND1' ' OG ' ' A' ' 54' ' ' SER . 93.4 m-70 -124.48 133.51 53.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.638 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.55 ' CZ ' HG13 ' A' ' 98' ' ' ILE . 34.9 m-85 -136.9 135.82 38.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.3 ptm -90.73 135.79 33.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.3 t -117.4 115.01 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -84.38 163.5 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.555 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 tt -110.98 96.64 6.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.415 HD21 ' C ' ' A' ' 73' ' ' THR . 1.0 OUTLIER -49.88 178.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -85.34 -23.59 27.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.58 22.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.37 24.47 69.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.415 ' C ' HD21 ' A' ' 69' ' ' LEU . 20.1 p -112.61 177.49 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.555 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 17.5 m-85 -132.91 129.61 38.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 3.0 ttt -139.74 125.97 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 70.1 mt -71.99 138.46 82.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.704 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.84 109.61 2.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.66 -11.84 7.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -97.11 -177.62 3.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.955 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 3.5 mppt? -125.76 18.97 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.99 160.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.484 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -129.51 -175.11 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 15.4 m-70 -159.5 140.29 12.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.7 p -54.28 -50.34 67.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' LEU . 42.6 m -144.1 156.53 44.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 85' ' ' SER . 54.1 mt -34.34 -47.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -46.57 -60.0 2.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.76 -5.97 18.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -100.57 -24.87 14.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.486 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 81.5 t -79.94 -40.66 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.061 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -62.13 -40.34 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -72.86 -25.13 60.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.421 ' NE2' HD11 ' A' ' 76' ' ' ILE . 2.5 m-70 -73.79 -26.22 60.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -69.78 -10.27 57.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -120.14 -25.2 5.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -127.59 116.88 21.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -169.77 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.55 HG13 ' CZ ' ' A' ' 64' ' ' PHE . 2.1 mm -95.48 142.63 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.515 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.8 tt0 -35.74 -58.54 0.85 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.674 0.749 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 52.9 Cg_endo -69.86 -50.76 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -97.95 114.95 27.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -83.8 22.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 2.6 tm-20 -88.48 142.0 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.7 mt -105.02 175.61 5.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.43 HD13 ' CG ' ' A' ' 40' ' ' PHE . 16.0 mt -106.45 175.41 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.456 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 8.6 p -134.96 -62.06 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.3 pt20 -146.02 153.72 49.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.423 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.4 Cg_endo -69.81 142.67 48.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.625 2.217 . . . . 0.0 112.367 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.0 t -77.1 166.63 23.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.446 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 8.1 mmt-85 -121.47 131.69 54.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.28 143.01 56.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -103.57 41.81 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -131.45 43.12 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.801 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 81.0 p -146.65 108.16 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.3 -65.35 1.75 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 107.5 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.753 2.302 . . . . 0.0 112.248 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 98.2 p -116.54 126.55 53.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.4 m 41.46 41.89 1.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.539 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 39.8 48.85 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -107.06 86.32 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.64 -163.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -142.11 140.81 32.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -125.92 115.84 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.5 175.82 18.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.74 120.65 0.7 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -93.97 92.25 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.942 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.53 122.34 13.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.05 179.47 7.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.079 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -97.75 107.43 19.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -142.96 167.89 21.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.23 31.9 3.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.441 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 11.6 p -132.43 135.76 26.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.456 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 54.0 Cg_endo -69.79 -177.66 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HA ' ' NE2' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -91.72 -40.36 11.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.456 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 52.7 p-90 -61.69 -13.07 19.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -95.84 82.42 3.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.532 ' CE1' HD21 ' A' ' 31' ' ' LEU . 21.4 m-70 -72.76 -19.39 61.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.61 -131.55 10.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.84 95.01 9.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.731 0.3 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.45 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 33.3 pt -120.78 161.6 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.01 159.75 15.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.8 tpp85 -39.8 -48.82 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -59.8 -41.23 90.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.423 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 11.6 m-20 -60.91 -56.83 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.14 -48.19 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.54 -38.7 90.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -73.76 -23.24 59.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.532 HD21 ' CE1' ' A' ' 20' ' ' HIS . 7.2 mt -78.28 -28.7 47.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.3 mt -96.04 -24.17 16.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.4 pt-20 -51.54 -46.04 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.466 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.5 t -87.7 16.05 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -115.87 153.96 48.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.582 0.706 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 149.89 67.26 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -49.05 129.29 17.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 111.3 -19.68 24.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.2 m -60.72 121.05 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.824 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.593 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 29.0 p90 -110.33 168.37 9.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.494 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -166.18 172.84 10.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 43' ' ' ARG . 16.3 mt -140.78 138.73 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 10.5 ptm180 -124.26 158.82 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.541 ' O ' ' CE1' ' A' ' 46' ' ' HIS . 59.3 t -78.58 117.0 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -70.23 151.44 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.541 ' CE1' ' O ' ' A' ' 44' ' ' VAL . 13.0 m80 -125.78 -52.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -50.5 -46.25 57.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -127.04 151.13 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.72 133.79 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.78 -141.9 13.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.459 ' CD2' HD13 ' A' ' 86' ' ' LEU . 76.2 m-85 -139.99 -175.44 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.908 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.1 m -146.98 116.56 7.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 HD23 ' CD2' ' A' ' 93' ' ' HIS . 6.3 tp -91.45 146.9 23.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.8 m -153.98 167.15 30.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.445 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 38.1 p90 -175.02 156.71 2.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -73.55 128.79 36.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -120.77 144.62 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' N ' HD22 ' A' ' 37' ' ' LEU . 20.5 mt-30 -34.99 -59.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -65.37 -59.44 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.418 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 94.6 p -164.36 172.92 12.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.7 m -61.32 154.9 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 29.9 m -111.31 162.05 15.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -151.88 106.35 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.551 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.565 ' CZ ' HG13 ' A' ' 98' ' ' ILE . 9.8 m-85 -117.37 144.02 45.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.0 ptm -99.91 136.02 40.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 18.3 t -116.98 104.41 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -71.42 169.77 14.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.5 99.54 7.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -55.08 173.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -81.0 -21.73 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.09 25.16 1.0 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.27 18.29 60.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.5 p -108.71 172.32 6.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.333 . . . . 0.0 111.18 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 1.6 m-85 -128.86 127.6 42.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 4.3 ttt -134.14 128.98 35.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 71.9 mt -76.44 138.65 67.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.666 0.746 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.78 92.89 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.29 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.18 -14.41 2.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.499 ' O ' ' CE ' ' A' ' 75' ' ' MET . 30.2 mt-10 -94.97 156.22 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 80' ' ' LYS . 10.8 mmmt -100.01 22.38 11.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.08 162.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.98 -179.29 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.471 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 11.2 m-70 -152.94 148.24 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.7 p -56.29 -47.7 78.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 46.2 m -148.18 178.89 8.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.797 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' A' ' 51' ' ' TYR . 28.9 mt -53.07 -50.95 63.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -46.78 -56.48 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.96 -7.05 43.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -98.71 -25.28 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.593 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 91.9 t -80.15 -49.2 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.2 m -53.03 -41.12 64.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 18.5 t80 -69.83 -30.72 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.417 ' CD2' HD23 ' A' ' 53' ' ' LEU . 4.6 m-70 -69.14 -24.63 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -69.69 -20.39 63.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -111.18 -24.82 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.42 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 11.1 mmmt -126.26 118.64 23.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.579 0.704 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.79 -171.5 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.257 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.565 HG13 ' CZ ' ' A' ' 64' ' ' PHE . 1.9 mm -97.26 152.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -45.55 -58.4 6.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.665 0.745 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 54.5 Cg_endo -69.8 -50.72 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.384 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -99.56 115.05 28.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.59 8.47 9.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.33 138.22 40.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mt -101.16 176.06 5.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.1 mt -107.49 171.06 7.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.445 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 3.5 p -129.82 -59.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.437 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.6 pt20 -147.97 152.67 40.79 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.37 50.59 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 36.7 t -74.68 156.69 36.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -110.58 142.92 41.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.447 ' NE2' ' HA ' ' A' ' 17' ' ' GLU . 14.6 mp0 -42.22 157.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 111' ' ' GLN . 3.1 mptt -37.04 132.52 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -49.87 -62.34 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 m -72.82 -74.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.6 85.55 1.66 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 130.29 19.15 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.701 2.268 . . . . 0.0 112.292 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 51.5 m -112.81 126.64 55.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.2 m -81.09 168.87 18.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.551 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.241 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -167.84 114.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.869 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -94.82 -49.16 5.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.19 45.81 2.73 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 p -115.46 96.9 5.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.801 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 p -92.72 141.53 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.11 151.39 17.42 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.471 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.13 -175.99 39.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -131.44 145.71 51.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 mt -99.52 41.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.88 147.94 36.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -48.73 121.07 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.44 75.67 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.29 41.36 2.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 9.6 p -141.04 137.38 16.88 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.569 0.7 . . . . 0.0 111.159 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.569 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 54.3 Cg_endo -69.7 -174.99 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.6 -40.09 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.569 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 57.7 p-90 -58.45 -14.58 8.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -95.85 121.54 37.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.486 ' CE1' HD11 ' A' ' 31' ' ' LEU . 16.4 m-70 -104.2 -54.33 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 126.54 86.04 0.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.532 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.559 ' HB2' ' CE1' ' A' ' 46' ' ' HIS . . . 34.79 37.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.8 0.334 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 9.1 pt -50.51 170.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 27' ' ' ASP . 3.2 t -87.34 140.53 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -37.6 -40.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -70.38 -39.93 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -58.74 -43.23 90.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.28 93.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.424 ' CD ' ' HB2' ' A' ' 61' ' ' CYS . 3.1 mm-40 -70.98 -33.92 70.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -81.38 -28.83 34.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 20' ' ' HIS . 5.6 mt -71.58 -30.78 66.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.0 mt -90.9 -27.93 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -53.61 -40.77 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -85.16 4.71 33.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -110.63 154.4 43.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.712 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 151.43 69.31 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.689 2.259 . . . . 0.0 112.39 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.84 134.34 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 108.99 -36.51 4.31 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 5.6 m -45.86 119.63 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.81 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.621 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 33.9 p90 -110.86 168.4 9.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -168.44 166.77 12.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 43' ' ' ARG . 21.8 mt -133.32 138.44 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.467 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 6.5 ptm180 -126.63 112.11 15.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 22' ' ' ALA . 96.1 t -33.95 130.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.3 m -83.41 157.33 22.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' A' ' 22' ' ' ALA . 72.9 m80 -121.05 -40.2 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.06 -50.51 66.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.561 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 52.8 p-80 -119.18 174.45 6.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.8 m -84.79 33.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.561 ' HA3' ' CD2' ' A' ' 48' ' ' HIS . . . -119.58 -142.96 6.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -140.86 -178.27 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -139.55 117.58 11.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.102 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 1.3 tm? -95.07 137.11 34.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 m -146.04 165.94 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.456 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 39.0 p90 -175.11 164.55 3.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -78.27 124.44 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -118.79 142.3 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' ALA . 12.8 mm-40 -36.83 -54.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.1 p -61.82 -64.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 t -174.29 155.77 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.424 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 1.8 m -41.05 142.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.3 m -119.36 160.99 21.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -142.12 115.98 9.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.609 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CE2' HG13 ' A' ' 98' ' ' ILE . 14.1 m-85 -116.77 147.06 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 ptm -100.65 151.3 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 66.8 t -129.93 111.83 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -77.85 164.8 24.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.405 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.3 tt -117.81 100.8 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -60.28 167.73 2.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -77.11 -13.45 59.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -88.03 21.22 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.99 20.01 64.14 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.403 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.6 p -112.93 170.63 8.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.485 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 48.7 m-85 -123.73 136.68 54.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 81' ' ' VAL . 6.7 tpt -138.43 135.8 35.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.529 ' CD1' ' NE2' ' A' ' 93' ' ' HIS . 27.1 mt -87.11 132.49 41.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 84.94 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.303 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.51 -30.05 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -86.83 -174.71 5.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -123.39 11.33 9.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.404 ' O ' ' SD ' ' A' ' 75' ' ' MET . 2.6 m -137.06 147.03 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -111.89 -179.07 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.467 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 17.3 m-70 -148.12 158.96 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.6 p -68.11 -49.89 58.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.485 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 3.5 m -152.29 162.13 41.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 85' ' ' SER . 3.8 mp -36.38 -45.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.16 -55.66 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.5 -7.74 53.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.467 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.54 -18.76 18.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.621 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 90.9 t -84.77 -36.82 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.3 m -67.58 -47.63 69.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.66 -30.2 71.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.529 ' NE2' ' CD1' ' A' ' 76' ' ' ILE . 2.7 m-70 -69.27 -30.7 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -65.81 -19.63 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -110.52 -22.96 11.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -130.27 119.7 18.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.529 0.68 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -166.31 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.695 2.264 . . . . 0.0 112.33 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.557 HG13 ' CE2' ' A' ' 64' ' ' PHE . 2.3 mm -101.75 144.7 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.524 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.7 tt0 -39.04 -58.33 1.8 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.675 0.75 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 54.3 Cg_endo -69.69 -50.26 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.781 2.32 . . . . 0.0 112.328 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.37 115.58 29.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -84.41 26.98 0.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE2' ' N ' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -93.26 144.91 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.438 ' N ' ' OE2' ' A' ' 103' ' ' GLU . 11.2 mt -106.34 179.03 4.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.0 mt -110.7 168.05 9.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.445 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 1.8 p -129.69 -55.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -154.18 152.42 26.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.545 0.688 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.31 53.58 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.322 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 46.8 t -78.72 151.33 32.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.67 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -39.17 148.44 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -71.28 164.31 25.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.51 118.71 18.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.4 t -78.28 -60.57 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 139.4 144.91 4.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.523 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' SER . 53.7 Cg_endo -69.8 -17.89 37.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.726 2.284 . . . . 0.0 112.3 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' PRO . 16.8 p -34.6 145.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 85.7 p -120.48 132.95 55.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 p -174.29 124.02 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.381 . . . . 0.0 110.813 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -141.59 166.37 24.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.37 166.34 11.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.533 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -165.51 136.41 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 p -91.21 83.35 5.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.903 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.13 -92.78 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.98 128.76 6.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -135.09 122.01 21.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.1 mt -71.21 113.8 8.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.982 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.68 162.98 12.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -137.53 114.05 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -137.82 156.61 47.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.02 49.0 3.01 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.569 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 8.6 p -142.22 137.51 15.78 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.609 0.718 . . . . 0.0 111.058 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.555 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.82 -176.86 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.722 2.282 . . . . 0.0 112.312 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 4.9 pt-20 -93.89 -27.2 16.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.555 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 58.7 p-90 -72.0 -4.62 29.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -100.55 91.15 4.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 34.2 m-70 -85.93 34.96 0.61 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.42 -128.22 45.75 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.77 88.13 2.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.513 ' CG1' ' CB ' ' A' ' 43' ' ' ARG . 14.4 pt -107.36 165.1 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' ASP . 15.7 m -104.8 145.36 30.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' HG3' ' N ' ' A' ' 26' ' ' GLU . 39.1 ptt85 -34.26 -42.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.501 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 11.9 pt-20 -56.01 -50.33 71.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -65.49 -46.5 79.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.807 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.01 -51.0 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.02 -38.96 80.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -71.1 -26.06 62.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.79 -33.42 60.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.457 ' CD2' HD12 ' A' ' 41' ' ' LEU . 12.7 mt -89.08 -28.0 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.7 pt-20 -49.16 -44.43 42.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.446 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.5 t -90.84 24.12 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -124.03 155.9 66.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.04 66.49 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.728 2.285 . . . . 0.0 112.312 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -49.57 127.47 15.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.441 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 112.77 -22.75 16.05 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.8 m -57.2 119.45 6.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.474 ' CE2' ' CG1' ' A' ' 90' ' ' VAL . 42.9 p90 -110.97 164.1 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.557 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -167.56 149.23 5.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 43' ' ' ARG . 62.2 mt -117.87 141.33 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.513 ' CB ' ' CG1' ' A' ' 23' ' ' ILE . 17.8 ptt85 -130.37 127.69 39.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.1 t -41.59 133.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 m -80.46 161.73 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -122.93 -42.35 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -57.23 -54.85 42.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -113.22 175.84 5.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.804 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.5 m -85.09 28.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.462 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -112.35 -136.52 6.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.533 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.549 ' CD2' HD13 ' A' ' 86' ' ' LEU . 23.9 m-85 -145.13 -179.6 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.895 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.3 m -137.07 116.66 12.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.147 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tp -96.11 138.13 34.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.6 m -147.25 167.75 23.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 64' ' ' PHE . 53.3 p90 -175.05 164.65 3.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -83.4 127.31 33.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.42 ' C ' HD23 ' A' ' 37' ' ' LEU . . . -118.73 152.34 36.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.05 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -42.51 -41.9 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -74.03 -64.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -174.73 165.86 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.1 m -48.6 141.17 7.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.9 m -123.09 149.2 44.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -124.58 123.0 39.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.615 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.568 ' CE2' HG13 ' A' ' 98' ' ' ILE . 53.0 m-85 -119.22 138.74 52.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 ptm -99.89 136.15 40.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 71.4 t -121.69 113.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -79.11 176.27 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -118.31 102.92 9.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 73' ' ' THR . 3.1 mm? -55.32 176.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -84.74 -24.75 28.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -81.29 12.8 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.22 12.6 84.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.494 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.418 ' C ' HD23 ' A' ' 69' ' ' LEU . 82.7 p -100.74 -177.78 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.546 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 5.4 m-85 -137.78 124.0 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.415 ' N ' HD22 ' A' ' 69' ' ' LEU . 3.0 ttt -130.19 132.68 46.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.451 HD11 ' CE1' ' A' ' 93' ' ' HIS . 75.8 mt -76.59 135.28 68.58 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.612 0.72 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.401 ' N ' HG21 ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.74 80.37 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.743 2.296 . . . . 0.0 112.313 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.08 -28.68 0.3 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -83.34 -176.15 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.12 19.47 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.77 162.81 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.88 177.33 7.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 10.5 m-70 -150.25 148.7 29.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 17.3 p -53.55 -53.55 50.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.048 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.546 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 9.4 m -144.67 159.64 42.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.814 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.549 HD13 ' CD2' ' A' ' 51' ' ' TYR . 68.7 mt -36.73 -47.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -48.05 -59.64 3.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.84 -8.94 40.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.517 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -96.13 -26.3 15.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.474 ' CG1' ' CE2' ' A' ' 40' ' ' PHE . 53.4 t -75.46 -47.74 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.7 m -55.44 -50.56 69.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.1 -31.25 69.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.451 ' CE1' HD11 ' A' ' 76' ' ' ILE . 5.4 m-70 -66.29 -37.26 85.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -58.22 -18.9 29.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -110.89 -22.26 11.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.48 115.65 18.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HD3' ' CD2' ' A' ' 104' ' ' LEU . 54.4 Cg_endo -69.76 -174.93 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.568 HG13 ' CE2' ' A' ' 64' ' ' PHE . 2.1 mm -89.07 144.68 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.504 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -37.91 -58.73 1.32 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.731 . . . . 0.0 110.835 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.3 Cg_endo -69.76 -52.16 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.362 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.441 ' HD3' ' CE2' ' A' ' 64' ' ' PHE . 3.7 mpt_? -91.52 115.0 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -85.28 26.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -99.15 143.96 28.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.416 ' CD2' ' HD3' ' A' ' 97' ' ' PRO . 15.6 mt -102.87 174.93 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.9 mt -101.1 171.25 7.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.441 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.7 p -130.27 -57.33 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.413 ' N ' ' OG1' ' A' ' 106' ' ' THR . 23.4 pt20 -152.36 150.37 25.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 145.77 58.17 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.662 2.242 . . . . 0.0 112.385 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 47.1 t -74.72 163.72 27.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.498 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 6.6 mmt180 -119.94 136.04 54.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -44.57 161.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -68.72 -1.87 7.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.94 -46.57 3.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.9 m -53.69 -50.88 64.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.29 -158.8 4.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 116.88 4.77 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.729 2.286 . . . . 0.0 112.334 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 91.7 p -85.09 152.33 23.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.0 p -75.25 132.67 41.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.795 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.531 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -105.45 -55.62 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.836 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -84.63 130.09 34.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.68 -154.89 26.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -91.3 140.22 29.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 m 46.52 48.15 14.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.28 96.84 1.0 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.39 131.83 5.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -92.42 62.46 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.307 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 mt -130.88 139.91 50.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.88 149.46 9.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -145.78 109.53 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -121.88 116.27 24.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.48 43.02 1.28 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.493 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 86.1 t -134.69 138.73 30.51 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.645 0.736 . . . . 0.0 111.097 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 53.1 Cg_endo -69.86 176.45 6.82 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.277 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.2 -41.97 14.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.401 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 64.1 p-90 -58.95 -12.96 5.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.438 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 66.2 t80 -98.34 117.11 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.445 ' CG ' HE22 ' A' ' 111' ' ' GLN . 36.7 m-70 -110.34 20.48 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 44' ' ' VAL . . . 68.1 -106.5 1.74 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.18 80.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 pt -94.34 172.54 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.066 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 m -102.24 159.47 15.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -45.66 -54.03 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 10.5 pt-20 -55.13 -44.61 75.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.406 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 79.7 m-20 -55.88 -57.47 11.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.26 -51.82 31.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -58.85 -35.39 72.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -75.59 -25.53 57.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 mt -75.68 -28.1 58.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.3 mt -95.86 -26.16 15.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.9 pt-20 -52.5 -46.36 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.471 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.8 m -85.57 10.79 12.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -112.69 155.0 44.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.594 0.711 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 153.0 69.3 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.57 131.93 29.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.42 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 108.91 -21.91 26.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 m -57.23 122.38 12.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.387 . . . . 0.0 110.904 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.59 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 33.9 p90 -110.6 158.06 18.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.551 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.48 147.67 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.83 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 69.4 mt -118.04 145.26 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.0 ptt-85 -135.76 120.02 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 21' ' ' GLY . 90.6 t -44.41 106.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.5 p -73.32 141.47 47.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -110.92 -38.16 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.6 m -48.06 -55.12 10.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -124.44 143.45 50.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -52.7 120.68 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.61 -152.62 20.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CE2' HD12 ' A' ' 86' ' ' LEU . 4.0 m-85 -130.46 171.82 12.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.931 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.2 m -133.41 93.93 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.17 142.37 54.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.2 m -150.67 165.25 33.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.447 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 9.5 p90 -174.75 143.28 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -56.44 125.33 21.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -118.1 143.43 46.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ALA . 22.9 mt-30 -35.87 -55.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.8 p -65.94 -60.12 3.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 61' ' ' CYS . 15.6 t -174.35 154.35 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.814 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 4.4 m -35.48 148.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.1 m -119.92 147.1 45.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -130.56 114.97 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.611 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.567 ' CE1' HG13 ' A' ' 98' ' ' ILE . 36.2 m-85 -115.7 124.38 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.6 ptm -78.81 142.95 36.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.4 t -124.92 129.88 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 166.97 10.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.05 94.75 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.423 HD22 ' CB ' ' A' ' 75' ' ' MET . 1.7 mm? -48.01 169.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -75.64 -22.56 56.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -84.59 21.32 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.16 17.95 66.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.421 ' C ' HD23 ' A' ' 69' ' ' LEU . 64.3 p -106.83 179.94 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.185 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 14.2 m-85 -129.57 135.1 48.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.439 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -142.87 132.18 23.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 59.8 mt -83.87 138.64 40.26 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.573 0.701 . . . . 0.0 111.165 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.459 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.3 Cg_endo -69.73 85.67 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.03 -19.47 0.56 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' CE ' ' A' ' 75' ' ' MET . 57.9 mm-40 -98.79 155.33 17.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.986 0.422 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.465 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 4.6 mmmm -99.1 31.28 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.89 165.59 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.17 177.33 7.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.479 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 10.0 m-70 -148.75 150.49 33.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.3 p -55.68 -50.77 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.568 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 4.2 m -148.91 175.9 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.564 HD12 ' CE2' ' A' ' 51' ' ' TYR . 84.7 mt -49.64 -49.92 45.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.36 -54.1 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.66 -11.07 60.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.596 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -98.17 -15.98 19.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.59 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 80.3 t -87.71 -37.32 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.5 m -70.71 -43.84 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -64.21 -30.62 71.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 5.5 m-70 -67.91 -36.2 79.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -53.05 -19.1 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -113.03 -28.59 7.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.53 112.43 29.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.44 ' HD3' ' CD2' ' A' ' 104' ' ' LEU . 53.4 Cg_endo -69.75 -164.08 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.655 2.237 . . . . 0.0 112.283 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.567 HG13 ' CE1' ' A' ' 64' ' ' PHE . 2.1 mm -98.91 139.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -35.04 -58.5 0.72 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.667 0.746 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.6 Cg_endo -69.75 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -100.49 112.41 24.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.9 -11.7 60.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.73 128.45 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.44 ' CD2' ' HD3' ' A' ' 97' ' ' PRO . 10.4 mt -94.28 177.9 5.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.4 ' CD2' ' CD2' ' A' ' 55' ' ' TYR . 34.6 mt -106.59 151.74 24.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.42 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.0 p -114.99 -54.87 2.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -153.51 153.26 28.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.51 0.672 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.38 53.83 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.68 148.35 35.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -102.85 150.62 23.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.445 HE22 ' CG ' ' A' ' 20' ' ' HIS . 25.2 mm-40 -46.02 172.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -101.13 65.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -175.15 137.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.3 m -106.33 92.91 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.67 172.64 24.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 90.91 0.51 Allowed 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.8 m -152.15 133.74 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.3 p -120.57 138.64 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.461 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -143.34 133.59 24.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.785 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -98.18 42.16 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.808 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.99 -111.14 2.04 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.544 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 m 43.72 42.46 4.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.878 0.37 . . . . 0.0 110.913 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -93.18 -49.65 5.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.31 -146.93 25.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.56 -163.91 1.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -166.35 127.54 1.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.367 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mt -81.78 92.96 6.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.5 176.69 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -60.44 110.3 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' GLY . 4.1 m-20 -77.88 84.62 4.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' ASP . . . -37.11 -35.66 0.16 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.467 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 8.7 p -134.56 136.27 25.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.634 0.731 . . . . 0.0 111.089 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.9 Cg_endo -69.69 -179.77 3.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.411 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -92.96 -40.03 10.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.419 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 56.6 p-90 -56.94 -14.59 3.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -89.41 88.26 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -84.84 39.93 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.27 -113.39 0.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.16 84.52 2.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.422 ' CD1' ' HB1' ' A' ' 28' ' ' ALA . 16.4 pt -96.87 -179.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 m -102.17 140.93 35.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' SER . 25.1 ttt180 -35.17 -46.93 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.96 -51.79 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.65 -39.47 65.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.422 ' HB1' ' CD1' ' A' ' 23' ' ' ILE . . . -62.88 -61.73 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.65 ' CD ' ' CE1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -54.94 -38.47 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -67.43 -30.35 70.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.427 ' CD2' ' HG3' ' A' ' 112' ' ' LYS . 3.4 mt -71.56 -27.83 63.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD1' HD13 ' A' ' 41' ' ' LEU . 16.3 mt -93.15 -27.21 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.978 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.0 pt-20 -52.01 -43.04 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.423 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.0 m -88.83 15.48 8.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -114.53 156.71 44.28 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.701 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 149.58 67.38 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.716 2.278 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD21 ' N ' ' A' ' 58' ' ' GLN . 0.4 OUTLIER -47.7 131.09 14.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 110.76 -32.4 6.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.529 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.5 m -49.22 122.32 5.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CE2' HG11 ' A' ' 90' ' ' VAL . 32.5 p90 -115.9 164.76 13.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 54' ' ' SER . 0.0 OUTLIER -168.17 163.01 13.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.449 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 93.7 mt -134.11 158.47 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 9.6 ptt85 -149.5 112.14 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.6 t -39.01 112.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.5 p -72.3 165.55 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.786 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -127.95 -35.43 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 t -58.28 -66.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -102.48 143.49 32.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.7 94.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 166.92 -137.01 4.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 19.1 m-85 -146.26 -177.62 5.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.933 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.9 m -142.73 119.31 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -99.98 132.67 45.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.469 ' HB3' ' CD1' ' A' ' 41' ' ' LEU . 2.5 t -136.08 153.2 51.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.67 ' CE2' ' CE2' ' A' ' 64' ' ' PHE . 7.7 p90 -164.29 146.59 8.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -62.79 129.57 41.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -122.19 138.7 54.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.447 ' N ' HD21 ' A' ' 37' ' ' LEU . 22.7 mt-30 -34.46 -42.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.8 m -71.09 -69.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.2 m -174.64 161.59 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 60' ' ' SER . 26.4 p -34.62 135.9 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.2 m -130.17 145.56 51.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.65 ' CE1' ' CD ' ' A' ' 29' ' ' GLU . 87.8 m-70 -119.04 139.6 51.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 109.57 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.67 ' CE2' ' CE2' ' A' ' 55' ' ' TYR . 41.5 m-85 -133.87 100.43 4.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.9 ptm -68.34 140.24 55.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.7 t -121.15 104.38 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -71.33 169.71 14.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.566 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 tt -118.16 105.62 11.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -60.72 165.94 3.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -75.05 -20.27 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.76 13.32 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.67 18.61 77.4 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.7 p -109.32 178.38 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.148 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.566 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 14.5 m-85 -132.8 137.9 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 2.7 ttt -150.3 133.4 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.435 ' CD1' ' NE2' ' A' ' 93' ' ' HIS . 23.4 mt -75.47 132.44 75.68 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.588 0.709 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.414 ' N ' HG22 ' A' ' 76' ' ' ILE . 53.0 Cg_endo -69.83 82.59 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.96 -17.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 99' ' ' GLU . 6.3 mm-40 -99.75 -175.34 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.952 0.406 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -123.24 21.15 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.42 153.17 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -124.81 -174.87 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 9.7 m-70 -159.99 142.31 13.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 74.9 p -50.26 -52.45 36.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.553 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 68.4 m -141.53 171.68 13.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 89' ' ' LEU . 4.6 mt -54.12 -49.3 69.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -52.07 -20.22 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.63 -13.28 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.557 ' CD1' ' C ' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -96.17 -20.35 18.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.553 HG11 ' CE2' ' A' ' 40' ' ' PHE . 65.5 t -79.21 -44.17 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 40.1 m -57.81 -44.83 86.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 24.9 t80 -65.31 -28.51 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.435 ' NE2' ' CD1' ' A' ' 76' ' ' ILE . 2.7 m-70 -68.81 -23.78 64.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.27 -18.98 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.416 ' C ' HD22 ' A' ' 104' ' ' LEU . 41.7 mt-30 -111.66 -27.44 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.523 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 7.9 mmmt -123.96 118.51 26.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.26 2.79 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.569 HG13 ' CE1' ' A' ' 64' ' ' PHE . 2.1 mm -90.17 150.15 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -43.86 -58.44 4.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.663 0.744 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.9 Cg_endo -69.82 -48.22 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.634 2.223 . . . . 0.0 112.328 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -100.52 111.88 24.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 7.03 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -79.13 146.23 33.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' ' 95' ' ' GLN . 12.4 mt -104.74 176.42 5.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.1 mt -103.14 165.68 10.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 107' ' ' GLN . 1.6 p -127.24 -58.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.432 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.9 pt20 -151.48 152.9 31.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.663 0.744 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 143.91 52.62 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.658 2.239 . . . . 0.0 112.38 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 34.2 t -75.81 163.06 27.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -117.54 142.1 47.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -66.67 153.01 44.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.427 ' HG3' ' CD2' ' A' ' 31' ' ' LEU . 6.3 mtpm? -67.95 87.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -167.85 113.03 0.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 m -47.61 -50.27 24.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.03 151.72 20.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.56 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -33.26 16.86 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.625 2.217 . . . . 0.0 112.375 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -63.08 152.94 35.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 t -125.33 152.24 44.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.23 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -163.73 132.34 3.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 p -157.35 161.9 39.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.771 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.62 66.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -94.66 -54.99 3.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.358 . . . . 0.0 110.811 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.3 m -109.44 150.25 28.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.03 159.19 9.03 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.473 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -132.21 173.53 20.68 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -76.78 136.54 39.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.815 0.34 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -136.18 115.79 12.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.63 159.32 17.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -93.0 123.1 36.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -131.37 105.62 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.31 39.45 82.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.463 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 85.8 t -140.66 138.72 18.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.82 -179.55 3.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.388 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' OE1' ' NE ' ' A' ' 110' ' ' ARG . 6.2 pt-20 -90.58 -28.23 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.508 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 56.3 p-90 -74.22 -4.79 38.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -101.68 100.47 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.407 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 4.0 m-70 -99.33 41.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 42.71 -127.0 4.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.529 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -112.79 115.55 28.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.726 0.298 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' CG1' ' HD2' ' A' ' 43' ' ' ARG . 6.1 pt -125.29 -177.61 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASP . 12.9 p -100.92 148.48 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -44.35 -29.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.48 -33.21 48.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' SER . 61.4 m-20 -68.62 -53.53 22.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.05 -51.45 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -62.83 -40.32 97.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -67.73 -23.08 65.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mt -78.92 -31.72 45.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CD1' HD13 ' A' ' 41' ' ' LEU . 20.0 mt -93.43 -24.39 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.519 ' CG ' ' N ' ' A' ' 34' ' ' SER . 3.8 pt-20 -54.71 -48.67 72.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.519 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 48.9 m -79.62 1.91 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -106.31 152.42 40.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.669 0.747 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.7 59.48 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.644 2.229 . . . . 0.0 112.356 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -51.92 131.41 31.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 112.52 -32.28 6.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.574 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.6 m -51.14 119.38 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 90' ' ' VAL . 29.6 p90 -112.08 159.22 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.578 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -162.13 136.92 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 54.6 mt -106.86 151.09 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.097 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.458 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 8.7 mtm180 -137.42 172.93 12.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 t -90.3 112.86 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -73.6 119.14 17.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -79.52 -45.53 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.7 t -49.17 -43.89 42.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 9.8 p-80 -140.12 126.34 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 p -49.98 111.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.57 -128.05 1.56 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.514 ' CG ' HD12 ' A' ' 86' ' ' LEU . 71.3 m-85 -154.35 163.54 39.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.2 m -129.24 111.64 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.217 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.9 tm? -85.4 127.27 34.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -141.47 159.15 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.464 ' CD2' ' CD2' ' A' ' 105' ' ' LEU . 26.3 p90 -172.19 147.98 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -61.88 126.95 29.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.418 ' C ' HD23 ' A' ' 37' ' ' LEU . . . -115.63 147.58 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -45.75 -36.34 5.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -83.8 -66.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -165.12 155.18 13.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.1 t -44.09 142.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.491 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -118.5 162.06 18.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -147.97 109.21 4.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.545 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.534 ' CE2' HG13 ' A' ' 98' ' ' ILE . 11.7 m-85 -110.46 124.86 52.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.4 ptm -74.71 148.19 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.9 t -131.05 116.43 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 4.7 mtmp? -84.06 161.86 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.99 86.31 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -44.23 161.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -74.91 -20.38 59.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.21 6.26 8.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.49 76.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.459 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.2 p -107.96 -177.69 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.503 ' CE1' ' HA ' ' A' ' 85' ' ' SER . 9.9 m-85 -141.43 125.07 16.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.444 ' HE1' ' N ' ' A' ' 81' ' ' VAL . 0.6 OUTLIER -142.34 137.47 30.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 79.2 mt -78.19 138.35 60.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.673 0.749 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.75 81.71 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.709 2.273 . . . . 0.0 112.259 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.94 -20.4 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -89.35 -178.28 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 18.83 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.444 ' N ' ' HE1' ' A' ' 75' ' ' MET . 0.2 OUTLIER -144.25 157.37 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -128.29 -176.71 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.06 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.508 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 18.7 m-70 -151.18 151.93 32.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.6 p -62.18 -44.57 96.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.503 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 3.9 m -149.93 164.47 35.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.514 HD12 ' CG ' ' A' ' 51' ' ' TYR . 77.9 mt -42.0 -50.89 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.14 -59.7 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.83 -4.82 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.584 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -98.29 -27.59 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.551 HG12 ' CE2' ' A' ' 40' ' ' PHE . 88.5 t -79.54 -39.25 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.7 m -63.82 -46.71 83.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -65.25 -25.75 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 8.7 m-70 -72.18 -43.7 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.811 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -49.04 -19.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -112.33 -26.26 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -124.38 110.77 28.41 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.59 0.709 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.473 ' N ' HD21 ' A' ' 104' ' ' LEU . 53.0 Cg_endo -69.81 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.534 HG13 ' CE2' ' A' ' 64' ' ' PHE . 1.8 mm -92.22 139.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.519 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.9 tt0 -34.78 -58.5 0.68 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.706 0.765 . . . . 0.0 110.923 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.519 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.5 Cg_endo -69.77 -46.81 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.375 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 61.5 mmt-85 -102.99 112.79 25.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -10.53 59.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.75 142.24 41.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.473 HD21 ' N ' ' A' ' 97' ' ' PRO . 15.8 mt -108.3 -179.04 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.464 ' CD2' ' CD2' ' A' ' 55' ' ' TYR . 37.4 mt -107.03 165.04 11.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.449 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.1 p -128.53 -58.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.433 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.1 pt20 -148.93 152.34 36.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.525 0.679 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.44 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.2 Cg_endo -69.69 145.95 59.16 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 42.9 t -79.68 162.23 25.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.407 ' NE ' ' OE1' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -119.08 132.76 56.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -56.87 145.84 28.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -52.5 131.82 34.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -173.88 135.93 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.5 p -88.77 82.54 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 75.27 144.61 1.17 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 105.84 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.644 2.23 . . . . 0.0 112.366 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.3 p -72.34 150.12 43.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.3 m -78.07 88.11 4.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 p 37.51 42.36 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.948 0.404 . . . . 0.0 110.894 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -53.95 175.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.03 162.15 24.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -161.32 131.67 5.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.392 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -159.13 154.73 26.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.98 169.93 11.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.67 128.46 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.542 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -122.0 153.18 38.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.925 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mp -92.25 44.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.53 149.33 42.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.79 140.68 48.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -173.8 132.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.39 37.55 2.42 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.451 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.72 130.21 23.89 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.659 0.742 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' HB2' ' CD1' ' A' ' 18' ' ' TRP . 53.1 Cg_endo -69.79 170.74 15.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.72 -39.87 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 65.2 p-90 -59.27 -11.54 4.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -100.02 105.76 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.417 ' CE1' ' HA ' ' A' ' 111' ' ' GLN . 29.8 m-70 -104.84 39.5 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.91 -118.59 2.74 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.475 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.43 104.35 11.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 0.0 111.06 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 pt -113.32 175.79 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -98.15 145.68 26.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.782 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -42.77 -32.89 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.77 -41.23 60.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.67 -56.99 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.08 -58.33 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -55.43 -44.01 75.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -70.18 -22.17 62.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mt -77.38 -31.68 54.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' CD1' HD11 ' A' ' 41' ' ' LEU . 20.5 mt -93.52 -24.79 17.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.2 pt-20 -56.46 -46.27 80.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.475 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 50.7 m -85.07 11.75 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -111.28 157.79 37.96 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 151.96 69.26 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.742 2.295 . . . . 0.0 112.302 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -51.96 130.58 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.44 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 107.95 -19.33 32.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.529 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -58.22 123.34 15.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.54 ' CE1' HG11 ' A' ' 90' ' ' VAL . 34.9 p90 -117.3 150.68 38.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.554 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -160.49 142.9 12.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 55.5 mt -114.03 158.5 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.493 ' NH2' ' ND1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -151.05 140.68 21.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -55.65 122.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.2 m -75.01 164.26 26.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -125.37 -47.87 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.0 t -54.26 -58.7 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -115.28 142.79 46.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.82 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.78 123.77 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.608 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 142.69 -128.98 3.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.608 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 31.2 m-85 -155.33 169.64 23.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.926 0.393 . . . . 0.0 110.926 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.6 m -135.66 117.54 15.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.486 HD22 ' CD2' ' A' ' 93' ' ' HIS . 12.9 tp -86.38 134.53 33.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -139.25 156.3 47.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -171.03 150.74 3.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -68.02 132.43 47.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.998 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -123.25 141.47 51.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' ALA . 12.6 mt-30 -35.79 -39.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.8 m -78.7 -62.91 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.9 p -173.6 164.58 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 72.9 m -52.23 130.14 29.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 t -114.98 158.82 21.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.493 ' ND1' ' NH2' ' A' ' 43' ' ' ARG . 81.5 m-70 -132.32 138.89 47.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CE2' HG13 ' A' ' 98' ' ' ILE . 60.1 m-85 -134.2 127.8 32.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.5 ptm -86.96 136.08 33.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 57.5 t -119.94 108.64 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -76.22 158.26 31.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.509 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 tt -104.02 102.65 12.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.422 HD21 ' C ' ' A' ' 73' ' ' THR . 2.1 mm? -54.44 162.87 1.0 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -71.79 -25.75 62.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -76.21 6.82 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.18 16.65 76.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.422 ' C ' HD21 ' A' ' 69' ' ' LEU . 71.2 p -108.5 -179.63 3.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 111.145 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.509 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 21.1 m-85 -131.87 131.51 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 4.7 ttt -139.93 126.88 20.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.421 HD13 ' CE1' ' A' ' 93' ' ' HIS . 89.5 mt -72.61 131.63 84.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.719 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.405 ' N ' HG21 ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.77 83.49 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.766 2.31 . . . . 0.0 112.307 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.71 -15.01 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.43 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 99' ' ' GLU . 7.9 mm-40 -101.14 -175.0 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.373 . . . . 0.0 110.888 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.23 19.48 9.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.72 156.41 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.499 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -126.15 -174.89 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.566 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 8.7 m-70 -159.66 136.12 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 50.6 p -44.42 -49.42 9.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.171 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.466 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 5.9 m -149.67 171.57 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.6 mt -45.62 -46.03 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -57.85 5.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.94 -6.53 39.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -100.28 -20.89 15.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.54 HG11 ' CE1' ' A' ' 40' ' ' PHE . 60.0 t -81.28 -42.43 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.3 m -65.68 -46.35 79.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -62.63 -29.48 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.486 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.9 m-70 -71.38 -29.46 64.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -64.74 -15.82 62.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -115.25 -27.7 7.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -124.65 108.33 28.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 179.28 3.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.64 2.226 . . . . 0.0 112.338 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.569 HG13 ' CE2' ' A' ' 64' ' ' PHE . 1.9 mm -80.86 149.17 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.6 tt0 -42.0 -58.61 3.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.651 0.738 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.5 Cg_endo -69.82 -51.19 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.753 2.302 . . . . 0.0 112.3 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -93.81 114.27 26.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -17.64 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.79 142.87 17.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.8 mt -108.11 175.63 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.4 ' HB3' ' CD2' ' A' ' 40' ' ' PHE . 31.5 mt -98.13 159.33 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.44 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.2 p -122.84 -57.77 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.423 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.6 pt20 -151.19 151.29 29.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.3 50.46 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.2 t -76.81 161.32 28.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -116.99 136.99 52.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.417 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 1.9 pt20 -58.03 150.05 21.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -48.36 147.07 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -68.6 84.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.8 m -159.37 123.32 3.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -75.11 146.08 34.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -178.5 2.35 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 m -158.91 110.94 2.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.8 p -39.02 -55.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.794 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -83.85 -49.99 8.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 m -69.26 -54.98 11.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.816 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.93 47.05 20.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.434 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 t -168.66 149.79 4.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.944 0.402 . . . . 0.0 110.807 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -160.72 112.41 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.812 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.5 142.77 10.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.91 143.53 17.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -115.74 39.85 2.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.342 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.25 37.08 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -109.49 146.3 34.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -125.58 137.57 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -146.67 121.68 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.22 30.08 11.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 7.3 p -139.24 138.02 20.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.638 0.732 . . . . 0.0 111.101 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.492 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 54.2 Cg_endo -69.81 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.46 -27.36 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.492 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 61.0 p-90 -73.45 -12.45 60.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -97.14 105.06 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 -101.61 34.7 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 53.92 -130.29 43.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.476 ' HB1' ' CE1' ' A' ' 46' ' ' HIS . . . -105.72 99.48 9.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.3 pt -111.59 177.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' ASP . 57.7 m -107.28 147.45 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.82 -45.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.1 -43.81 98.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' SER . 91.0 m-20 -58.25 -58.15 9.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.55 -53.29 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -58.23 -38.38 76.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -72.24 -27.93 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -72.94 -28.87 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.9 mt -93.46 -31.01 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.959 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.8 pt-20 -46.29 -44.46 16.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 26.2 m -94.08 32.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -131.08 156.25 80.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 153.55 69.1 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -55.74 124.53 17.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 112.17 -9.35 26.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -66.65 119.28 11.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.98 0.419 . . . . 0.0 110.826 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.644 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 19.1 p90 -107.34 152.41 24.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.562 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -161.6 141.23 10.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 56.3 mt -110.29 157.66 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.5 ptm180 -143.47 136.43 27.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.3 91.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.0 t -54.31 153.43 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.476 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 67.1 m80 -121.13 -37.68 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.7 m -48.47 -68.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -107.45 161.97 14.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.14 111.62 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.67 -133.06 4.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -144.53 -175.26 4.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.012 0.434 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 96.4 m -145.63 110.05 5.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -86.69 143.54 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 m -151.74 162.89 40.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -167.55 148.35 5.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -70.73 118.16 13.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 60' ' ' SER . . . -105.95 160.06 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ALA . 5.7 mm-40 -36.53 93.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' ALA . 2.0 t 47.64 47.99 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 57' ' ' ALA . 1.9 p -175.73 117.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.789 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.5 t -91.97 145.92 24.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.72 161.23 30.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -142.07 105.84 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.532 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.572 ' CE2' HG13 ' A' ' 98' ' ' ILE . 28.3 m-85 -92.36 156.52 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.5 ptm -110.38 140.96 44.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 61.3 t -124.24 122.97 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 166.51 13.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.466 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -112.4 89.94 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -45.25 170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.01 -23.25 48.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -80.47 9.36 6.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.38 19.92 77.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.2 p -108.67 176.61 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.466 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 19.8 m-85 -130.66 135.3 47.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.419 ' HE1' ' C ' ' A' ' 79' ' ' GLU . 1.5 tpt -147.77 141.06 25.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 24.2 mt -91.14 138.47 25.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 111.092 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.69 82.72 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 163.95 -28.13 0.22 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.5 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' C ' ' HE1' ' A' ' 75' ' ' MET . 10.8 mm-40 -85.51 -177.47 6.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -121.69 1.74 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.54 148.87 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.4 -177.37 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 27.2 m-70 -147.79 165.06 31.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 72.4 p -75.67 -43.64 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.428 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 56.4 m -151.12 163.09 39.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 90' ' ' VAL . 44.1 mt -42.33 -49.41 5.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -47.97 -54.09 13.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.83 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.82 -9.79 59.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.506 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.63 -20.58 17.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.644 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 81.3 t -83.2 -38.57 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.2 m -62.38 -46.57 88.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -65.56 -32.18 73.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -67.21 -32.93 74.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -62.5 -19.06 63.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -111.41 -29.3 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -121.49 119.22 29.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.524 0.678 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.449 ' CA ' HD23 ' A' ' 104' ' ' LEU . 53.9 Cg_endo -69.75 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.572 HG13 ' CE2' ' A' ' 64' ' ' PHE . 2.7 mm -97.85 150.17 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.6 tt0 -42.07 -58.83 3.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.74 0.781 . . . . 0.0 110.979 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.8 Cg_endo -69.75 -54.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.493 ' N ' ' HD3' ' A' ' 101' ' ' ARG . 0.4 OUTLIER -94.22 120.55 34.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -83.27 -10.47 58.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.81 138.56 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.449 HD23 ' CA ' ' A' ' 97' ' ' PRO . 12.3 mt -102.95 -176.33 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 11.7 mt -108.86 172.41 6.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.404 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.6 p -134.39 -53.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -154.92 151.94 24.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 142.84 48.94 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 51.5 t -77.55 161.83 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -113.24 154.2 27.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -66.36 155.09 38.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -58.95 86.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -163.96 161.12 22.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 t -130.39 -55.37 1.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.787 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 154.59 66.42 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 125.75 12.52 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.2 t -97.6 59.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.4 t -103.43 146.44 28.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.497 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -107.12 43.57 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.822 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 p -134.61 -63.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.26 -124.16 7.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -136.38 146.44 46.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.817 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 p -68.39 -3.32 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.68 -100.48 0.27 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.99 -103.79 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -110.53 86.67 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 mt -108.53 146.69 32.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.15 136.55 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -143.51 131.25 21.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -121.52 133.54 55.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.65 39.31 25.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 16' ' ' PRO . 87.3 t -135.02 138.64 29.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.651 0.739 . . . . 0.0 111.167 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 15' ' ' VAL . 53.5 Cg_endo -69.78 -163.81 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.397 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.2 pt-20 -101.28 -29.34 12.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -73.52 -10.7 59.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -98.87 92.38 5.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.9 m-70 -86.48 25.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.42 -117.79 10.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.79 85.88 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.6 pt -97.84 178.67 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 m -105.07 169.33 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -55.73 -55.27 34.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.48 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 17.9 pm0 -57.45 -30.18 64.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.48 ' N ' ' HG2' ' A' ' 26' ' ' GLU . 8.0 m-20 -73.18 -50.99 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.16 -51.16 67.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.17 -35.74 76.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -72.92 -24.67 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.8 mt -76.82 -25.81 53.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' CD1' HD12 ' A' ' 41' ' ' LEU . 25.5 mt -99.32 -25.92 14.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.979 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.4 pt-20 -51.96 -47.08 64.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 16.4 m -84.79 12.81 6.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -114.42 153.41 46.57 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.74 69.51 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.63 2.22 . . . . 0.0 112.403 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -50.17 126.76 15.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.949 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 115.79 -25.39 9.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.7 m -56.85 119.63 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.86 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.622 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 25.2 p90 -108.97 157.24 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.542 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.69 150.32 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.418 HG22 ' N ' ' A' ' 43' ' ' ARG . 14.7 mt -120.86 157.02 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.418 ' N ' HG22 ' A' ' 42' ' ' ILE . 10.3 ptt85 -147.48 117.24 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' ARG . 47.5 t -37.28 133.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -94.32 158.52 15.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 47' ' ' SER . 29.9 m170 -122.59 -62.26 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 46' ' ' HIS . 12.2 t -35.04 -45.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -131.14 143.01 50.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.6 p -62.49 119.47 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.556 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 149.57 -124.44 1.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 59.1 m-85 -161.89 -177.1 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.931 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.444 ' CG2' ' O ' ' A' ' 64' ' ' PHE . 95.3 m -142.96 118.41 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 0.8 OUTLIER -94.49 132.34 39.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.436 ' N ' HD22 ' A' ' 53' ' ' LEU . 3.1 m -140.53 156.55 46.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.523 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 53.8 p90 -168.73 147.08 4.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -62.18 131.5 49.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.423 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -122.27 144.73 48.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' ALA . 8.2 mt-30 -37.58 -45.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -74.03 -63.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m -170.44 161.53 7.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.8 t -44.04 144.22 0.97 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 55' ' ' TYR . 29.6 p -118.33 146.02 44.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -125.89 112.78 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.575 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.444 ' O ' ' CG2' ' A' ' 52' ' ' THR . 53.3 m-85 -117.7 149.45 40.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.9 ptm -109.02 145.23 35.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.2 t -121.45 118.91 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -85.59 165.5 17.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.453 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -109.0 106.05 15.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.424 HD22 ' C ' ' A' ' 73' ' ' THR . 2.6 mm? -63.27 157.73 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.92 -23.83 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -74.0 -5.85 43.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.72 12.41 55.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.538 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.473 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 30.9 p -104.76 -178.84 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.857 0.361 . . . . 0.0 111.085 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.568 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -141.8 126.85 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.4 ptm -142.28 157.99 44.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 22.8 mt -88.8 138.28 29.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.1 Cg_endo -69.76 90.8 0.51 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.742 2.295 . . . . 0.0 112.331 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.08 -21.16 0.76 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -90.68 -178.96 5.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.986 0.422 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.59 22.41 10.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.12 156.08 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.32 -177.92 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.49 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 14.0 m-70 -152.45 139.96 19.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.1 p -45.24 -48.98 12.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.568 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 5.8 m -153.43 174.29 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.8 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.9 mt -46.51 -45.12 18.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -56.46 12.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.69 39.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -98.62 -19.3 17.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.971 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.622 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 79.0 t -84.47 -38.55 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.062 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.6 m -66.14 -51.03 61.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.54 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 36.5 t80 -56.96 -30.72 64.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.415 ' NE2' HD11 ' A' ' 76' ' ' ILE . 3.2 m-70 -66.76 -35.37 79.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -62.68 -11.28 16.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.4 ' C ' HD23 ' A' ' 104' ' ' LEU . 43.1 mt-30 -121.54 -28.28 4.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.54 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -125.79 111.72 24.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.73 -168.35 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.441 HG13 ' CE2' ' A' ' 64' ' ' PHE . 2.1 mm -99.31 151.78 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.0 tt0 -41.74 -58.76 2.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.8 Cg_endo -69.79 -51.01 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.742 2.294 . . . . 0.0 112.308 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' ILE . 71.2 mmt-85 -96.22 117.56 31.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -14.42 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -54.48 144.94 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.4 HD23 ' C ' ' A' ' 95' ' ' GLN . 14.4 mt -108.94 169.31 8.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 93' ' ' HIS . 10.2 mt -97.12 159.64 14.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.445 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.6 p -123.45 -54.48 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -150.94 152.74 32.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.558 0.694 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 144.39 53.79 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.608 2.205 . . . . 0.0 112.369 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 47.8 t -74.01 162.38 29.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 6.4 mmt180 -120.48 135.9 54.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 113' ' ' ASP . 10.6 mt-30 -51.15 151.39 2.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.13 95.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.936 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 111' ' ' GLN . 3.9 t70 -161.26 167.07 26.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.2 t -88.97 -56.52 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -178.57 90.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -28.77 24.8 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 2.236 . . . . 0.0 112.341 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.1 m -63.54 137.52 58.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 96.4 p -110.14 124.19 51.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -91.24 -47.96 7.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -75.01 130.79 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.04 105.57 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -85.49 132.03 34.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -142.36 117.34 9.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.782 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.51 -157.17 8.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.29 -124.85 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.442 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -149.64 146.68 27.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.469 HD11 ' N ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -70.44 178.12 3.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.84 145.97 43.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.104 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -85.91 90.65 8.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -173.03 115.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.52 30.59 58.05 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.462 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 7.1 p -142.25 137.75 15.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.605 0.717 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.474 ' HB2' ' CD1' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.8 172.37 12.8 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -82.13 -40.59 21.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.474 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 61.1 p-90 -57.79 -15.23 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -95.39 89.78 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -86.44 40.03 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.81 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 39.46 -102.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.35 90.13 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.711 0.291 . . . . 0.0 111.072 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.7 pt -99.93 174.29 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.8 p -100.99 139.69 36.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 14.1 ttm180 -34.63 -38.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.02 -52.16 51.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -57.36 -38.01 73.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.74 71.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.1 -36.61 82.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.34 -23.47 57.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mt -76.0 -28.97 58.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 46.4 mt -95.58 -28.83 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.2 pt-20 -50.44 -47.96 56.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 58.0 m -86.07 21.67 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -123.05 153.24 64.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 149.77 67.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD21 ' N ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -47.31 131.21 13.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.462 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 110.17 -27.32 11.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.2 m -52.37 106.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.455 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 32.8 p90 -97.18 160.45 14.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.823 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.479 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -164.71 164.07 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.419 ' N ' ' CD2' ' A' ' 41' ' ' LEU . 30.4 mt -134.89 158.0 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 44' ' ' VAL . 6.2 ptm180 -150.86 109.78 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' ARG . 51.5 t -34.73 138.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -86.51 148.57 25.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -120.62 -35.71 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.1 p -71.28 -25.83 62.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 4.2 p-80 -147.6 121.51 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.3 p -41.81 108.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 154.89 -144.31 10.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.504 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 4.2 m-85 -141.89 -175.55 4.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 110.956 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.6 m -148.31 106.55 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.515 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 2.0 tm? -79.67 130.83 35.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.9 m -141.42 159.65 41.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 30.0 p90 -173.68 153.4 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -69.1 126.45 29.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -118.62 143.26 46.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ALA . 22.7 mm-40 -34.79 -47.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -68.67 -65.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m -174.64 154.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.9 t -42.55 140.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.39 175.61 5.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -150.75 105.12 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.574 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.54 ' CE2' HG13 ' A' ' 98' ' ' ILE . 24.4 m-85 -103.22 123.99 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.8 ptm -76.97 138.8 39.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.0 t -119.63 114.56 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -87.34 163.89 16.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.535 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 3.3 tt -109.98 102.68 11.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -51.93 -177.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -91.1 -19.68 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -86.69 26.79 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.33 20.98 61.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.4 p -111.35 -175.46 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.535 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 30.7 m-85 -136.43 145.55 45.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.461 ' HE3' ' N ' ' A' ' 81' ' ' VAL . 6.9 ttt -156.0 136.39 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 69.6 mt -79.61 138.92 54.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.682 0.753 . . . . 0.0 111.065 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.473 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.83 84.3 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.28 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.66 -18.6 1.13 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -84.49 -178.11 6.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.67 18.65 8.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.47 HG21 ' CE1' ' A' ' 92' ' ' PHE . 3.4 m -146.75 159.54 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.481 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -128.81 -175.45 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.491 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 14.7 m-70 -159.65 156.25 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.845 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.2 p -65.32 -52.82 51.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.6 m -138.9 177.13 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.429 ' HB3' ' CH2' ' A' ' 18' ' ' TRP . 2.8 mm? -52.69 -49.6 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.51 -57.2 4.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.36 -7.63 48.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.491 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -100.49 -18.98 16.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.455 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 76.9 t -87.01 -46.7 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.4 m -54.64 -37.69 65.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.47 ' CE1' HG21 ' A' ' 81' ' ' VAL . 35.8 t80 -73.01 -31.41 64.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -66.91 -30.28 70.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -66.93 -14.21 62.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -116.15 -25.64 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -125.94 116.23 24.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.463 ' N ' HD23 ' A' ' 104' ' ' LEU . 53.4 Cg_endo -69.81 -168.12 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.54 HG13 ' CE2' ' A' ' 64' ' ' PHE . 1.7 mm -98.34 141.24 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.516 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.8 tt0 -36.68 -58.68 1.0 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.516 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 54.1 Cg_endo -69.72 -46.86 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.734 2.289 . . . . 0.0 112.326 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' ILE . 28.2 mmt180 -103.13 114.64 29.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.85 17.75 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -84.78 134.02 34.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 97' ' ' PRO . 12.7 mt -97.51 179.43 4.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.1 mt -107.9 169.75 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.981 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.462 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 9.1 p -131.61 -59.33 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.402 ' N ' ' OG1' ' A' ' 106' ' ' THR . 12.1 pt20 -146.46 152.83 46.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.28 50.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 41.1 t -79.74 158.49 26.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -115.95 136.25 53.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.01 155.37 20.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -58.64 170.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -81.11 142.41 33.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.0 m -111.35 98.65 7.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.4 -157.23 6.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -174.27 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.662 2.241 . . . . 0.0 112.359 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.4 p -111.71 -44.18 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.7 p -171.57 136.6 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p 37.92 42.15 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.912 0.387 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 t -61.2 112.81 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.53 103.18 0.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 t -145.11 120.55 10.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -155.06 149.4 26.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.03 121.49 1.37 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.05 106.4 0.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.444 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -118.24 160.61 21.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.29 107.27 19.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.79 159.85 12.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -59.63 105.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.52 140.14 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.94 42.84 0.65 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.417 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 5.7 p -134.61 134.59 22.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.649 0.738 . . . . 0.0 111.163 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.85 179.63 3.61 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.0 pt-20 -82.74 -41.95 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.827 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.508 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 62.7 p-90 -58.54 -17.13 18.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.536 ' CE1' ' HA2' ' A' ' 21' ' ' GLY . 44.0 t80 -95.15 95.73 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.403 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 12.6 m-70 -89.95 37.71 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.536 ' HA2' ' CE1' ' A' ' 19' ' ' PHE . . . 46.03 -112.97 0.92 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.29 97.65 5.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.727 0.298 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.411 HG12 ' CB ' ' A' ' 43' ' ' ARG . 31.0 pt -105.61 173.22 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.162 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.405 ' CB ' ' OE2' ' A' ' 26' ' ' GLU . 2.0 m -97.98 160.97 13.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -54.0 -44.61 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 8.6 pm0 -67.04 -30.31 70.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' N ' ' HG2' ' A' ' 26' ' ' GLU . 94.0 m-20 -67.91 -65.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.69 -50.3 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -60.57 -40.71 92.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' ASP . 16.5 m-20 -72.96 -24.68 60.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.24 -27.96 59.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 41' ' ' LEU . 44.7 mt -97.1 -29.15 13.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.7 pt-20 -50.43 -48.65 56.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.2 t -85.61 24.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -126.8 153.88 75.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 149.29 66.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.656 2.238 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD23 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -46.66 135.03 9.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.429 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 106.81 -30.63 9.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 m -46.86 121.0 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.439 ' HB3' ' CD2' ' A' ' 105' ' ' LEU . 33.0 p90 -111.94 161.02 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.517 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -165.64 150.89 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 43' ' ' ARG . 21.3 mt -121.09 141.83 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.44 ' N ' HG21 ' A' ' 42' ' ' ILE . 19.2 ptt85 -135.08 115.89 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' ARG . 72.8 t -37.49 119.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.7 t -72.76 148.25 44.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -117.42 -41.42 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.0 m -56.25 -64.57 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -108.61 143.85 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.6 p -57.37 109.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.92 -151.95 23.95 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -127.06 168.02 15.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.6 m -132.62 106.55 7.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -83.52 145.74 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.8 m -150.66 161.74 42.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE2' ' CE1' ' A' ' 64' ' ' PHE . 6.4 p90 -174.4 147.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -64.0 129.06 38.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -119.85 141.96 49.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 57' ' ' ALA . 19.0 mt-30 -34.26 -44.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 t -73.66 -63.14 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -173.08 163.85 4.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.808 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.5 t -43.08 142.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.8 m -119.2 154.84 32.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -135.81 106.28 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.383 1.052 . . . . 0.0 109.572 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.574 ' CE1' ' CE2' ' A' ' 55' ' ' TYR . 38.5 m-85 -102.32 139.19 38.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.4 ptm -91.75 134.33 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.7 t -115.67 99.57 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -69.39 160.38 31.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.415 HD21 ' CD1' ' A' ' 74' ' ' PHE . 1.7 tm? -114.24 115.23 27.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.99 156.33 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.87 -7.78 43.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -91.9 13.03 19.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.99 19.75 78.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.559 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.5 p -109.76 177.23 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.777 0.322 . . . . 0.0 111.183 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.415 ' CD1' HD21 ' A' ' 68' ' ' LEU . 8.7 m-85 -136.44 126.85 26.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.7 tpt -138.25 144.68 40.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 41.2 mt -94.7 138.53 22.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.4 Cg_endo -69.74 79.91 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 167.62 -36.79 0.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.25 -175.38 2.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -123.79 7.8 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.28 147.64 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.71 -175.42 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.517 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 30.9 m-70 -151.13 155.96 40.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 56.1 p -72.89 -37.85 67.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.5 m -153.82 159.81 41.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 90' ' ' VAL . 3.2 mm? -39.71 -52.07 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -44.74 -55.14 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.66 -11.42 60.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.573 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.72 -20.29 18.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.433 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 99.3 t -85.53 -49.8 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.3 m -54.48 -47.19 73.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -61.69 -41.34 97.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.9 m-70 -58.96 -42.19 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -47.8 -20.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -111.1 -28.07 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.89 117.36 29.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.514 0.673 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -174.32 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.564 HG13 ' CE2' ' A' ' 64' ' ' PHE . 2.2 mm -95.04 141.05 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.083 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.0 OUTLIER -36.3 -58.37 0.98 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.672 0.749 . . . . 0.0 110.902 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 54.2 Cg_endo -69.77 -49.94 0.51 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.599 2.2 . . . . 0.0 112.373 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -100.49 114.89 28.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -5.63 50.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -62.63 138.65 58.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.3 mt -104.67 168.47 9.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.439 ' CD2' ' HB3' ' A' ' 40' ' ' PHE . 35.5 mt -93.72 163.93 13.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.429 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.9 p -130.83 -57.78 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.409 ' N ' ' OG1' ' A' ' 106' ' ' THR . 10.1 pt20 -149.04 151.64 34.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.429 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.1 Cg_endo -69.71 143.45 51.13 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.748 2.299 . . . . 0.0 112.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 9.0 t -76.89 167.98 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.487 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 8.5 mmt180 -124.8 137.61 54.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -51.65 169.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -85.85 142.28 29.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -66.33 149.92 49.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.2 m -106.89 -58.6 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.31 91.64 1.01 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.378 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 107.29 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -65.7 159.06 25.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.3 p -141.94 177.41 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.232 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -124.98 83.3 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.954 0.407 . . . . 0.0 110.904 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -133.54 168.61 18.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.67 96.13 0.15 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -102.5 -43.24 5.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.388 . . . . 0.0 110.907 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -87.9 -47.47 8.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.97 117.81 10.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 131.66 -85.06 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -167.33 159.0 12.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 mp -140.17 166.89 23.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.29 -32.22 8.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.04 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -107.4 81.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -161.53 165.88 27.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.13 51.51 0.12 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.541 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.476 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 14.5 p -143.34 136.77 14.11 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.712 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.3 Cg_endo -69.82 178.46 4.59 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.626 2.217 . . . . 0.0 112.374 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -90.49 -27.58 19.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.458 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 61.2 p-90 -73.11 -5.27 38.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.481 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 81.6 t80 -102.4 102.58 12.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -96.11 39.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.481 ' HA2' ' CE2' ' A' ' 19' ' ' PHE . . . 40.25 -104.71 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.09 94.83 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.442 HD12 ' CB ' ' A' ' 28' ' ' ALA . 19.0 pt -103.65 175.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' GLU . 18.8 m -99.53 145.6 27.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' NH1' ' OE2' ' A' ' 29' ' ' GLU . 3.0 tmm_? -39.63 -29.27 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' SER . 8.9 mt-10 -79.22 -49.93 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -51.47 -45.15 62.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' CB ' HD12 ' A' ' 23' ' ' ILE . . . -57.61 -54.16 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 25' ' ' ARG . 18.8 mt-10 -60.6 -38.75 85.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -73.99 -25.34 59.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mt -74.27 -27.35 60.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.425 ' CD1' HD13 ' A' ' 41' ' ' LEU . 25.3 mt -97.8 -28.47 13.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 34' ' ' SER . 8.1 pt-20 -51.98 -44.93 64.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 17.8 m -88.19 18.19 4.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -117.36 156.53 48.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 149.76 66.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -49.67 130.26 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.441 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 108.51 -23.3 24.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 m -56.13 119.41 5.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.605 ' CE2' ' CG1' ' A' ' 90' ' ' VAL . 33.4 p90 -108.21 168.33 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.475 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -170.59 162.35 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.465 ' N ' HD22 ' A' ' 41' ' ' LEU . 11.4 mt -132.57 147.31 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 44' ' ' VAL . 18.4 ptt85 -139.82 115.48 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' ARG . 53.0 t -33.94 139.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 t -124.86 130.34 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -95.05 -16.73 22.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 t -52.0 -62.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 50' ' ' GLY . 17.5 p-80 -114.15 43.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 48' ' ' HIS . 9.4 p 34.39 32.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.234 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.602 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -123.1 -127.39 3.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 21.5 m-85 -152.61 162.64 40.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.8 m -124.61 110.8 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 tp -90.56 129.13 36.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.1 m -138.49 161.5 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.46 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 14.0 p90 -169.59 145.76 3.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -63.14 127.57 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -121.3 145.2 48.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 57' ' ' ALA . 20.8 mp0 -35.02 -43.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 t -74.62 -72.25 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -164.94 158.34 17.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.1 t -43.88 137.73 3.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.2 m -111.67 163.87 13.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -143.24 108.54 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.616 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -110.6 135.57 51.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.6 ptm -91.39 141.04 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.7 t -123.8 108.08 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -75.55 169.56 17.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.557 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.7 tt -115.17 84.92 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 mt -39.8 144.62 0.18 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.93 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.86 -15.94 60.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -86.05 24.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.74 23.43 67.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.4 p -121.93 168.19 12.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.087 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.564 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 7.0 m-85 -124.1 136.87 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 1.1 ttt -149.93 134.86 17.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.5 mt -77.29 132.08 70.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.651 0.738 . . . . 0.0 111.179 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 83.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.318 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.0 -17.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 99' ' ' GLU . 32.5 mm-40 -99.37 -175.97 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.977 0.418 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -121.54 20.44 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.22 157.01 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.416 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -129.38 -177.4 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 12.3 m-70 -155.05 150.51 27.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.2 p -58.6 -48.54 80.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.171 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.564 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 37.4 m -148.83 162.56 39.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.458 HD23 ' CD2' ' A' ' 51' ' ' TYR . 6.1 mp -39.17 -44.91 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -50.08 -61.29 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.67 -7.35 26.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.38 -22.93 16.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.954 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.605 ' CG1' ' CE2' ' A' ' 40' ' ' PHE . 16.4 t -80.0 -46.65 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.0 m -60.49 -40.75 92.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -68.97 -26.06 64.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 5.0 m-70 -73.0 -37.69 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -58.06 -19.23 30.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.409 ' C ' HD22 ' A' ' 104' ' ' LEU . 42.8 mt-30 -110.43 -25.0 10.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -124.58 116.91 26.5 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -175.6 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.623 2.215 . . . . 0.0 112.332 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 99' ' ' GLU . 2.1 mm -93.13 142.6 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.511 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.3 tt0 -36.75 -58.51 1.04 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.5 Cg_endo -69.82 -48.73 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.313 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -99.47 114.44 27.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -3.99 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.56 144.64 55.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.409 HD22 ' C ' ' A' ' 95' ' ' GLN . 13.3 mt -107.16 175.19 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 mt -99.84 164.59 11.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.441 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.7 p -124.06 -55.12 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -153.17 152.5 27.98 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.625 0.726 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.59 54.5 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.9 t -76.84 166.28 23.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -122.12 131.7 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -54.51 172.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -85.06 34.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -119.83 -53.32 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.2 m -90.34 58.28 3.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.52 141.58 15.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 -31.52 20.48 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.593 2.195 . . . . 0.0 112.392 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.0 t -106.61 154.61 20.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.5 m -109.54 159.65 16.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -77.49 153.45 33.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -94.33 157.76 15.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.2 161.04 28.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -89.87 88.75 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.907 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -124.23 148.07 47.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.18 104.19 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.24 147.29 18.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.471 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -101.25 164.72 11.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mt -138.32 123.91 19.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.98 173.31 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.061 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -105.23 77.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -114.71 105.69 13.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.28 46.94 1.05 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.477 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 12.6 p -142.05 137.12 15.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.696 0.76 . . . . 0.0 111.1 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.4 Cg_endo -69.87 176.34 6.99 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.62 2.213 . . . . 0.0 112.345 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' OE2' ' NE ' ' A' ' 110' ' ' ARG . 5.5 pt-20 -88.22 -34.13 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.3 p-90 -69.37 -5.26 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -103.31 94.01 5.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -89.31 34.9 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 46.54 -110.81 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.468 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.37 99.04 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.426 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 12.8 pt -108.74 169.75 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.9 m -96.59 165.12 12.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -43.02 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.67 -37.69 82.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -49.91 69.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.27 -48.92 73.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -66.72 -39.73 88.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -72.22 -23.71 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.13 -28.57 57.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 41' ' ' LEU . 33.5 mt -97.18 -27.53 14.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.528 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.7 pt-20 -51.6 -49.71 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.4 t -85.38 25.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -124.77 154.72 70.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 149.61 66.71 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.688 2.259 . . . . 0.0 112.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.415 HD23 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -48.94 130.81 18.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.458 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 109.48 -22.41 24.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.4 m -57.47 120.15 7.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.384 . . . . 0.0 110.851 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.529 ' CE2' ' CG1' ' A' ' 90' ' ' VAL . 44.6 p90 -111.87 164.42 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.554 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -167.14 155.43 9.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 43' ' ' ARG . 57.7 mt -125.58 142.95 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.469 ' N ' HG23 ' A' ' 42' ' ' ILE . 15.6 ptt85 -132.73 114.44 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' ARG . 94.4 t -35.3 130.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -113.92 91.62 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -65.61 -25.12 67.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.776 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -46.62 -67.01 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 49' ' ' VAL . 2.1 p-80 -101.78 43.65 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 48' ' ' HIS . 7.2 p 32.56 37.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -134.95 -131.9 3.11 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.617 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 12.9 m-85 -151.89 169.43 22.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.014 0.435 . . . . 0.0 110.976 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.1 m -134.86 122.87 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.7 tp -96.65 133.97 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 m -144.27 161.24 39.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.429 ' HB3' ' CB ' ' A' ' 40' ' ' PHE . 48.5 p90 -170.63 150.9 3.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -64.75 129.18 38.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -120.16 146.74 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' ALA . 16.4 mm-40 -35.24 -49.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -70.43 -65.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 11.2 t -167.13 173.91 8.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 79.3 m -55.56 133.91 50.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.5 m -109.25 161.51 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -141.03 122.58 15.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.617 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -127.47 106.7 9.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.865 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -65.63 148.48 51.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.3 t -127.85 114.43 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -81.16 159.15 24.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.559 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 2.2 tt -103.47 95.27 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 HD23 ' CB ' ' A' ' 75' ' ' MET . 2.9 mm? -45.35 165.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -76.07 -20.35 57.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 71' ' ' ASP . 14.4 t0 -84.77 21.1 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.93 9.34 59.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.527 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.411 ' C ' HD21 ' A' ' 69' ' ' LEU . 81.1 p -99.4 -177.36 3.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 111.15 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.559 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 55.1 m-85 -132.22 145.97 51.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.442 ' CB ' HD23 ' A' ' 69' ' ' LEU . 7.1 ttt -155.16 146.49 22.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 80.1 mt -93.46 138.43 23.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.556 0.694 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 54.3 Cg_endo -69.74 79.96 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.06 -19.92 0.49 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -88.74 179.68 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.64 17.17 10.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.16 161.14 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -135.45 179.15 6.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.516 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 21.0 m-70 -150.24 162.76 39.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.5 p -72.29 -53.45 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -136.53 154.6 50.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 86' ' ' LEU . 7.0 mp -38.0 -45.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -49.13 -58.29 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.64 -7.39 38.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.516 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.57 -25.29 15.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.529 ' CG1' ' CE2' ' A' ' 40' ' ' PHE . 80.5 t -79.49 -51.14 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 96.1 m -55.04 -47.87 74.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.448 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 38.6 t80 -60.71 -37.79 82.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 3.9 m-70 -58.55 -48.77 79.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -43.0 -24.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 93' ' ' HIS . 47.6 mt-30 -108.21 -22.46 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 3.9 mmmt -127.08 108.43 21.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.67 -167.8 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.41 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.3 mm -92.94 144.56 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.506 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.1 tt0 -39.26 -58.52 1.83 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.656 0.741 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.9 Cg_endo -69.67 -49.73 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -98.52 115.75 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -16.64 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.5 126.59 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 93' ' ' HIS . 12.9 mt -93.84 173.36 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.3 mt -91.5 172.68 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.458 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 2.8 p -131.72 -58.57 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.427 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.9 pt20 -150.3 150.52 29.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 143.89 51.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 17.2 t -80.45 164.73 22.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.456 ' NE ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 mmt85 -120.22 139.42 52.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -55.8 161.94 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -60.32 -175.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -79.83 164.51 23.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.4 m -127.32 98.23 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -79.72 145.21 27.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.419 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 -8.08 22.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.619 2.213 . . . . 0.0 112.345 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.0 m -114.32 166.91 11.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.7 p -118.53 172.67 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.789 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 m -117.59 148.01 42.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -137.75 140.58 40.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.74 102.58 0.5 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -86.54 86.15 7.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -43.3 123.17 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.59 -144.97 3.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.53 125.42 2.22 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -84.18 87.64 7.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.943 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.4 mt -90.67 82.33 5.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.77 164.04 34.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.036 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -88.72 132.73 34.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -58.71 97.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.43 35.44 4.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.412 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 9.1 p -140.34 135.74 16.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.682 0.753 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.7 Cg_endo -69.71 176.77 6.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -82.52 -39.66 22.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.567 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 62.9 p-90 -60.38 -19.52 56.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -93.28 88.0 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -85.54 36.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.08 -148.11 6.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.538 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.15 81.08 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 111.055 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.2 pt -87.78 171.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -90.55 171.75 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -60.64 -40.62 92.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.14 -38.08 69.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.52 -53.95 52.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.85 -48.72 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -64.3 -39.36 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -72.79 -29.34 63.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.5 mt -70.39 -29.83 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' CD1' HD13 ' A' ' 41' ' ' LEU . 71.1 mt -93.52 -34.77 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 34' ' ' SER . 4.6 pt-20 -46.64 -47.31 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.496 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.1 t -88.16 27.21 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -126.7 156.0 74.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 149.18 66.63 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.65 2.234 . . . . 0.0 112.393 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -48.82 132.03 18.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.457 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 108.95 -29.22 9.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -47.85 115.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.918 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.667 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 19.9 p90 -109.68 149.99 28.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.56 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -156.92 158.71 37.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.46 HD13 ' CE3' ' A' ' 18' ' ' TRP . 88.1 mt -124.44 155.0 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 23.6 ptt85 -147.42 127.22 13.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -51.79 128.92 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -76.03 165.7 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -126.32 -55.71 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.6 t -49.73 -51.96 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -122.21 132.13 54.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.59 125.48 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.84 -144.84 13.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.478 ' CD2' HD21 ' A' ' 86' ' ' LEU . 9.4 m-85 -139.15 175.2 9.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.958 0.409 . . . . 0.0 110.956 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.5 m -141.16 107.07 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.108 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 93' ' ' HIS . 3.8 tp -82.91 146.18 28.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.9 m -153.66 165.89 34.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -175.23 145.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -64.49 121.5 14.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -114.77 144.09 44.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ALA . 32.3 mm-40 -35.06 -41.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.94 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -74.78 -68.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.2 m -169.86 166.6 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 88.7 m -51.72 131.75 30.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.7 m -110.17 151.15 27.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -132.57 113.92 13.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.635 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.547 ' CZ ' HG13 ' A' ' 98' ' ' ILE . 11.4 m-85 -111.87 129.57 56.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.4 ptm -84.99 140.89 30.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.9 t -123.69 118.14 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -89.02 164.1 15.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -104.05 113.5 27.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.11 166.29 20.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.76 -23.68 60.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -84.36 27.59 0.69 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.15 28.83 59.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -116.88 -177.32 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 111.134 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -136.02 138.01 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.463 ' HE1' ' N ' ' A' ' 81' ' ' VAL . 6.6 ttt -146.67 141.65 27.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 54.7 mt -83.98 137.12 40.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.68 0.752 . . . . 0.0 111.075 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 85.15 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.731 2.287 . . . . 0.0 112.337 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.72 -22.1 1.03 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -83.61 -175.72 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -126.87 17.45 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.463 ' N ' ' HE1' ' A' ' 75' ' ' MET . 6.3 m -145.0 162.22 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.56 -178.35 5.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.449 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 32.2 m-70 -153.85 161.91 41.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.3 p -71.22 -52.09 20.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 86' ' ' LEU . 4.1 m -140.72 155.95 46.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.478 HD21 ' CD2' ' A' ' 51' ' ' TYR . 1.9 mm? -35.88 -47.04 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -47.28 -61.98 1.64 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.48 -10.93 38.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.54 -20.91 18.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.667 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 74.9 t -80.17 -42.33 21.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.9 m -60.43 -52.95 63.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.468 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 32.2 t80 -55.85 -37.41 68.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 6.2 m-70 -59.12 -40.75 86.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -57.43 -15.58 7.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -112.58 -30.09 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.468 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 11.1 mmmt -122.15 118.52 29.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.524 0.678 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -175.89 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.249 . . . . 0.0 112.314 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.547 HG13 ' CZ ' ' A' ' 64' ' ' PHE . 3.2 mm -92.68 137.23 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.0 OUTLIER -34.15 -58.4 0.61 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.9 Cg_endo -69.77 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.294 . . . . 0.0 112.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -96.49 114.17 25.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 102' ' ' ARG . 5.2 ppt_? -85.05 36.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -109.15 136.58 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 15.6 mt -94.45 169.59 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.3 mt -95.37 173.65 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.457 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 11.2 p -133.69 -62.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.435 ' N ' ' OG1' ' A' ' 106' ' ' THR . 20.6 pt20 -147.75 152.67 41.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.72 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.445 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.1 Cg_endo -69.73 142.26 47.58 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.724 2.282 . . . . 0.0 112.283 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 44.4 t -74.53 162.49 28.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 108' ' ' PRO . 11.2 mmt-85 -118.04 131.15 56.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -58.86 147.9 32.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.26 142.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -63.54 138.59 58.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.6 p -175.05 122.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -151.66 134.1 4.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.485 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -50.81 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.3 p -81.98 124.12 29.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -91.5 -32.8 15.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.508 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -165.47 149.9 8.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 p -100.45 150.26 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.96 81.15 0.5 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.559 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -133.53 158.11 43.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.812 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t 53.83 48.06 22.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.25 179.24 28.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.18 -94.13 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -150.67 132.6 15.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.3 mt -78.79 82.94 4.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.93 153.82 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -128.17 141.87 51.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -153.69 128.4 9.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.82 40.33 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 t -124.91 132.14 24.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -172.97 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.721 2.28 . . . . 0.0 112.342 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -95.53 -39.29 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 66.6 p-90 -62.44 -9.11 7.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -100.17 89.87 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -88.5 33.92 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.81 -128.25 15.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.54 97.38 7.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 111.171 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.451 ' CG1' ' CB ' ' A' ' 43' ' ' ARG . 12.3 pt -113.94 170.53 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ARG . 6.5 t -100.98 147.31 26.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' SER . 26.5 ttp180 -37.2 -49.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 12.1 pt-20 -54.21 -48.23 71.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.452 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 6.5 m-20 -59.62 -61.51 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.02 -46.83 33.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -64.33 -36.91 85.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -72.32 -28.84 63.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.412 ' CD2' ' HG2' ' A' ' 112' ' ' LYS . 3.9 mt -72.13 -30.41 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 41' ' ' LEU . 53.5 mt -91.09 -25.23 19.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 34' ' ' SER . 4.5 pt-20 -55.24 -38.49 68.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.412 ' N ' ' HG2' ' A' ' 33' ' ' GLU . 3.2 m -97.34 21.27 10.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -119.33 156.39 52.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.57 0.7 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.0 69.3 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD22 ' C ' ' A' ' 57' ' ' ALA . 0.2 OUTLIER -52.4 128.17 24.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.465 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 111.0 -19.42 25.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.426 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.3 m -59.51 116.35 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 0.0 110.78 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.454 ' HA ' ' CB ' ' A' ' 55' ' ' TYR . 24.7 p90 -106.55 158.23 17.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.84 146.45 9.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 43' ' ' ARG . 78.5 mt -116.73 149.68 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' CB ' ' CG1' ' A' ' 23' ' ' ILE . 16.6 ptt85 -140.95 114.18 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.792 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' ARG . 43.4 t -34.9 128.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -87.06 150.69 23.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -120.76 -43.26 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.7 p -48.38 -51.53 26.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -127.67 153.03 46.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.49 114.58 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.52 -151.14 23.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.459 ' CD2' HD13 ' A' ' 86' ' ' LEU . 43.0 m-85 -135.71 169.63 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.01 0.433 . . . . 0.0 110.839 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.1 m -129.76 115.47 17.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.212 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.53 141.41 28.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.431 ' OG ' ' ND1' ' A' ' 63' ' ' HIS . 18.7 m -149.4 164.92 33.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.486 ' CD2' HD23 ' A' ' 105' ' ' LEU . 17.8 p90 -175.08 148.41 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -65.84 129.61 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.421 ' C ' HD22 ' A' ' 37' ' ' LEU . . . -122.15 149.15 44.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -39.58 -40.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.4 m -77.64 -69.21 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.8 p -167.12 166.11 15.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.9 p -47.48 133.08 13.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 29.9 m -109.49 148.87 30.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.431 ' ND1' ' OG ' ' A' ' 54' ' ' SER . 96.2 m-70 -132.1 122.86 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.602 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -124.89 132.66 53.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.814 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.7 ptm -88.15 141.81 28.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 48.1 t -121.16 111.6 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -78.6 162.67 26.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 tt -110.34 97.72 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.409 HD22 ' C ' ' A' ' 73' ' ' THR . 2.8 mm? -52.31 175.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.89 -23.32 33.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -85.25 28.39 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.93 29.72 62.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.409 ' C ' HD22 ' A' ' 69' ' ' LEU . 67.0 p -116.27 179.74 3.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 0.0 111.159 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.417 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 16.2 m-85 -135.48 137.79 42.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.436 ' HE3' ' N ' ' A' ' 81' ' ' VAL . 3.2 ttt -150.01 126.24 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 57.1 mt -71.08 138.4 84.77 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.64 0.733 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.9 Cg_endo -69.73 94.92 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.722 2.281 . . . . 0.0 112.386 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.4 -23.09 1.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.538 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -90.03 179.07 6.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 2.7 mppt? -120.78 21.12 11.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.436 ' N ' ' HE3' ' A' ' 75' ' ' MET . 1.1 m -143.3 169.98 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.77 177.85 8.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.526 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 21.8 m-70 -147.66 161.89 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.9 p -67.84 -54.22 20.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' LEU . 2.9 m -143.72 159.45 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' A' ' 51' ' ' TYR . 32.4 mt -37.84 -46.49 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.17 -56.41 9.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.36 -9.72 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.526 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.36 -18.58 19.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.931 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' A' ' 86' ' ' LEU . 42.2 t -82.76 -28.58 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.0 m -75.27 -48.08 24.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -62.69 -29.57 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.408 ' O ' ' CD2' ' A' ' 104' ' ' LEU . 3.4 m-70 -69.15 -36.4 77.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.49 -12.0 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -115.84 -32.19 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -119.25 118.46 32.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.525 0.679 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.456 ' N ' HD22 ' A' ' 104' ' ' LEU . 53.5 Cg_endo -69.78 -172.12 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.382 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.46 ' CG2' ' HD2' ' A' ' 100' ' ' PRO . 3.1 mm -95.24 141.58 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -35.53 -58.31 0.83 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.651 0.738 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.7 Cg_endo -69.82 -50.24 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.252 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -99.71 115.69 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -8.0 57.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.32 142.84 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.456 HD22 ' N ' ' A' ' 97' ' ' PRO . 13.6 mt -105.2 -175.24 2.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.486 HD23 ' CD2' ' A' ' 55' ' ' TYR . 45.3 mt -107.22 171.28 7.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.465 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 6.8 p -134.56 -57.7 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -149.84 151.92 33.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.733 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 142.85 49.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.616 2.21 . . . . 0.0 112.349 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.7 155.37 33.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -115.49 135.48 54.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -53.04 168.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.412 ' HG2' ' CD2' ' A' ' 31' ' ' LEU . 29.6 mmtt -91.52 43.22 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -137.73 130.45 29.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.5 m -90.33 41.51 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 103.65 126.29 5.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.46 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.685 2.257 . . . . 0.0 112.312 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.5 t 58.8 47.53 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.4 m -141.77 179.96 6.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 1' ' ' GLY . 5.8 m 35.35 49.77 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -92.29 123.1 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.76 93.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 m -109.79 131.12 55.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -70.55 -45.88 64.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.63 -141.02 15.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.538 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.39 151.04 19.87 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -137.94 177.77 7.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.82 0.343 . . . . 0.0 110.97 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.7 mt -124.17 111.46 15.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.17 -38.4 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 42.86 54.41 4.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -113.65 96.08 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.4 44.17 3.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.48 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 7.9 p -138.31 137.63 21.08 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.638 0.732 . . . . 0.0 111.193 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.48 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 54.3 Cg_endo -69.71 178.49 4.49 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -89.14 -40.22 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.408 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 59.0 p-90 -57.23 -12.79 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -94.72 82.55 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 15.6 m-70 -82.3 42.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 38.91 -146.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.0 96.06 10.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.694 0.283 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.447 ' CG1' ' CB ' ' A' ' 43' ' ' ARG . 12.5 pt -105.12 170.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ASP . 2.2 t -96.67 141.95 29.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 24' ' ' SER . 7.4 ttm-85 -35.52 -38.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.27 -45.94 75.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 6.6 m-20 -57.74 -54.67 44.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.93 -59.23 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.86 -43.7 81.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -68.36 -21.52 64.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mt -79.21 -33.35 43.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' CD1' HD12 ' A' ' 41' ' ' LEU . 15.2 mt -92.02 -26.31 18.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.526 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.1 pt-20 -50.9 -49.43 59.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.526 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 3.6 m -86.79 21.61 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -119.05 155.39 53.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.563 0.696 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 151.24 69.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -51.48 127.57 20.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.442 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 112.55 -22.19 17.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.9 m -57.32 115.54 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.464 ' CG ' HD13 ' A' ' 105' ' ' LEU . 39.6 p90 -107.5 163.63 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.53 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -168.93 154.99 6.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 43' ' ' ARG . 63.9 mt -127.45 143.08 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -137.1 140.0 41.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 t -55.05 125.05 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -82.96 166.35 18.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -127.28 -31.07 2.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -63.46 -61.57 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 65' ' ' MET . 6.8 p-80 -107.01 159.06 16.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.6 t -77.73 104.98 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.517 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 156.25 -125.93 1.71 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 26.2 m-85 -149.67 -175.65 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.009 0.433 . . . . 0.0 110.875 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.413 HG22 ' NH1' ' A' ' 43' ' ' ARG . 96.4 m -151.0 129.88 12.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.105 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -101.51 145.1 29.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.4 m -152.45 149.74 28.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.42 ' CD2' ' CD2' ' A' ' 105' ' ' LEU . 17.1 p90 -159.72 152.23 21.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -64.8 128.67 36.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -119.33 141.44 49.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.448 ' N ' HD23 ' A' ' 37' ' ' LEU . 20.2 mt-30 -35.88 -38.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -80.92 -62.57 1.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 p -171.8 161.02 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.837 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.0 m -45.54 141.55 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.8 p -117.26 157.25 26.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -137.15 124.74 22.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.596 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.518 ' CZ ' HG13 ' A' ' 98' ' ' ILE . 23.3 m-85 -124.25 127.34 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.429 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 23.7 ptm -84.39 135.67 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.92 105.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.071 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -80.91 157.95 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.28 96.63 6.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.945 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' ' 73' ' ' THR . 1.0 OUTLIER -49.48 177.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.48 -22.81 28.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -77.72 3.31 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.87 12.75 76.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.382 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.416 ' C ' HD22 ' A' ' 69' ' ' LEU . 73.0 p -106.25 172.39 6.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.123 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 5.7 m-85 -123.46 130.52 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.401 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 4.4 ttt -139.26 134.29 32.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 81.7 mt -83.93 138.74 40.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.2 Cg_endo -69.75 80.97 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.25 -16.03 0.42 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' C ' ' HD3' ' A' ' 80' ' ' LYS . 22.2 mm-40 -94.9 158.92 15.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.986 0.422 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 20.8 mmtt -100.16 19.01 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.53 159.07 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -125.4 -175.06 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.567 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 14.2 m-70 -151.69 150.6 30.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 p -56.62 -42.79 79.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.516 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 59.9 m -156.36 173.17 17.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 mp -48.49 -47.41 38.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -49.24 -56.43 9.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.25 43.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.567 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -100.03 -14.61 18.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.6 t -87.69 -40.29 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.5 m -65.07 -38.89 92.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -71.88 -29.56 64.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -72.54 -27.32 62.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.69 -19.23 65.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -111.38 -27.73 8.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -122.86 119.1 28.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -176.0 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.26 . . . . 0.0 112.311 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.518 HG13 ' CZ ' ' A' ' 64' ' ' PHE . 3.0 mm -94.95 146.14 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.521 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.2 tt0 -39.84 -58.4 2.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 54.3 Cg_endo -69.8 -50.63 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' ILE . 16.9 mmt180 -97.79 116.93 30.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.66 12.48 8.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.24 137.68 33.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.3 mt -99.05 167.66 10.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.464 HD13 ' CG ' ' A' ' 40' ' ' PHE . 47.6 mt -95.39 164.82 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.442 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 3.6 p -129.25 -55.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -151.85 152.05 29.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 142.96 49.27 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 20.5 t -78.89 162.66 25.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -117.53 135.68 53.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 112' ' ' LYS . 4.4 pt20 -61.68 137.98 58.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 111' ' ' GLN . 12.5 mtpt -37.19 103.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -171.06 133.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.1 m -97.38 90.1 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -75.78 135.46 18.05 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 124.49 11.1 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.59 2.193 . . . . 0.0 112.365 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 61.4 p -163.81 160.02 21.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.7 m -99.82 148.05 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -152.2 171.6 17.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -141.29 167.28 22.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.88 -158.57 27.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.434 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -146.21 171.45 14.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.836 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -174.26 116.33 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.75 158.44 31.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.5 119.26 4.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -124.96 156.38 38.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.828 0.347 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.465 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -97.37 145.73 25.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.78 -178.16 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -97.58 140.77 31.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.9 133.74 25.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.84 37.54 2.56 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.435 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.61 125.89 12.22 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 111.158 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -173.56 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.375 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -92.77 -27.2 17.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -78.07 -4.21 46.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -109.02 88.92 2.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.3 m-70 -82.88 40.19 0.67 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 40.05 -100.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.92 97.99 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.0 pt -106.94 -177.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' ASP . 19.6 m -109.65 141.62 41.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' SER . 3.3 tmm_? -35.81 -34.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' SER . 13.0 pt-20 -70.49 -47.26 61.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -58.74 -51.71 68.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.58 -56.7 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -56.22 -42.07 76.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -71.16 -25.61 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.401 ' CD2' ' HG3' ' A' ' 112' ' ' LYS . 5.8 mt -73.77 -28.31 61.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 41' ' ' LEU . 22.3 mt -97.2 -30.33 13.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.8 pt-20 -50.77 -47.83 59.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.4 t -87.57 25.54 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -124.93 154.3 71.03 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 149.47 66.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 58' ' ' GLN . 0.3 OUTLIER -48.64 129.2 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.466 ' HA3' ' CG2' ' A' ' 106' ' ' THR . . . 112.08 -24.53 14.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -55.04 117.83 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.974 0.416 . . . . 0.0 110.856 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.485 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 25.0 p90 -109.32 156.8 19.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.527 ' CD2' ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -164.11 149.62 10.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 43' ' ' ARG . 66.3 mt -120.84 151.94 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.443 ' N ' HG23 ' A' ' 42' ' ' ILE . 19.2 ptt85 -142.79 121.32 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.9 t -40.42 126.26 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -80.92 158.61 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -127.83 -41.41 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 98.8 p -57.8 -50.8 72.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.561 ' CE1' ' HB2' ' A' ' 65' ' ' MET . 6.8 p-80 -124.21 128.33 49.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -43.87 130.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 130.33 -138.76 10.43 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CD2' HD13 ' A' ' 86' ' ' LEU . 15.0 m-85 -143.19 170.63 15.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.015 0.436 . . . . 0.0 110.924 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.0 m -133.2 121.08 22.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.66 142.34 27.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 m -154.62 153.55 31.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.422 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 52.8 p90 -162.92 167.91 21.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -81.71 126.82 32.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -121.39 144.87 48.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' N ' HD23 ' A' ' 37' ' ' LEU . 13.3 mm-40 -34.12 -49.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.8 t -65.16 -66.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m -174.99 167.74 3.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.5 m -49.44 132.22 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 t -117.81 167.48 11.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -141.74 148.85 39.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.524 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.568 ' CE2' HG13 ' A' ' 98' ' ' ILE . 37.6 m-85 -143.64 130.93 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.561 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 23.1 ptm -86.07 139.88 30.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 98.6 t -124.41 107.71 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -78.0 172.28 13.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.573 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 tt -115.63 101.9 9.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD21 ' C ' ' A' ' 73' ' ' THR . 2.9 mm? -51.55 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.29 -24.99 20.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -80.94 10.51 4.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.67 17.39 77.57 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.567 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.418 ' C ' HD21 ' A' ' 69' ' ' LEU . 65.9 p -104.08 -178.02 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.841 0.353 . . . . 0.0 111.126 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.573 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 27.6 m-85 -135.59 122.28 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' MET . . . . . 0.496 ' CE ' ' O ' ' A' ' 79' ' ' GLU . 5.5 ttt -131.79 138.16 48.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 51.3 mt -84.83 138.44 37.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 111.083 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 76' ' ' ILE . 53.9 Cg_endo -69.68 81.88 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.386 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.07 -25.37 0.61 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.496 ' O ' ' CE ' ' A' ' 75' ' ' MET . 13.5 mm-40 -87.55 158.48 18.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.884 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 79' ' ' GLU . 12.1 mmmt -102.24 28.65 5.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.61 160.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.13 -175.82 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.516 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 11.7 m-70 -153.03 154.57 35.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.0 p -62.39 -54.19 43.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.471 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 6.0 m -145.24 162.62 36.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.524 HD13 ' CD2' ' A' ' 51' ' ' TYR . 85.5 mt -35.75 -51.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -58.69 3.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.08 -7.83 39.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.59 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.63 -21.63 17.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.485 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 69.7 t -82.34 -49.26 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.8 m -56.77 -51.71 67.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -56.6 -38.96 72.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.0 m-70 -60.44 -44.02 96.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -50.32 -21.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -110.73 -24.58 10.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.0 112.8 26.74 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.639 0.733 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -175.88 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.365 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.568 HG13 ' CE2' ' A' ' 64' ' ' PHE . 1.6 mm -83.3 158.86 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.51 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -53.42 -58.57 12.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 110.84 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 99' ' ' GLU . 53.6 Cg_endo -69.72 -51.1 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER -75.95 166.39 23.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.86 -21.26 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -67.82 143.89 55.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.4 mt -104.63 -176.7 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 50.6 mt -98.82 168.55 10.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.466 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 9.0 p -132.9 -60.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.424 ' N ' ' OG1' ' A' ' 106' ' ' THR . 13.2 pt20 -146.62 149.62 37.45 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.604 0.716 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.439 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.2 Cg_endo -69.7 143.17 50.25 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.2 t -79.21 163.14 25.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 108' ' ' PRO . 11.2 mmt-85 -114.82 136.77 52.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -66.69 153.61 42.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.401 ' HG3' ' CD2' ' A' ' 31' ' ' LEU . 30.1 mtmt -85.65 47.1 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -164.75 143.61 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.2 t -125.06 -41.39 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 131.3 86.17 0.36 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.477 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.13 37.11 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.2 m -137.34 147.15 45.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.8 t -126.98 -43.98 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.519 HG23 ' HD2' ' A' ' 16' ' ' PRO . 14.8 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.644 0.735 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.519 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.0 Cg_endo -69.72 174.43 9.48 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.419 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.63 -40.67 14.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -60.38 -12.59 9.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -96.94 92.96 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 22' ' ' ALA . 19.5 m-70 -90.04 39.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.647 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 40.17 -97.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -134.31 105.47 6.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.75 0.31 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 28' ' ' ALA . 51.0 pt -115.12 172.74 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 27' ' ' ASP . 70.0 m -97.12 142.38 29.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' SER . 5.1 ttm180 -34.61 -39.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -71.83 -47.09 55.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' SER . 6.0 m-20 -48.72 -50.56 33.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.592 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -56.79 -62.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -50.18 -32.08 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -79.83 -26.29 40.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD21 ' HG2' ' A' ' 112' ' ' LYS . 3.8 mt -74.03 -26.18 60.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 41' ' ' LEU . 29.3 mt -97.31 -28.94 13.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.0 pt-20 -50.37 -47.78 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.2 t -86.83 16.87 4.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 87.4 mm-40 -117.25 153.77 50.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.543 0.687 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 149.54 67.03 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.761 2.308 . . . . 0.0 112.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -46.42 133.09 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.573 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 108.59 -30.45 8.8 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.607 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.8 m -49.69 117.58 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.925 ' HB3' HD22 ' A' ' 105' ' ' LEU . 32.2 p90 -108.93 167.86 9.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.681 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -169.6 160.1 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.467 HD13 HD22 ' A' ' 86' ' ' LEU . 46.9 mt -133.49 148.5 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.545 ' NH2' ' CE1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -141.29 135.18 30.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 21' ' ' GLY . 86.5 t -50.76 122.46 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 t -89.14 123.78 33.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.9 -46.72 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.5 m -43.45 -61.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -121.04 126.04 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 p -41.39 133.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.87 -129.01 5.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD2' HD11 ' A' ' 86' ' ' LEU . 91.3 m-85 -155.0 179.95 8.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.975 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.9 m -140.71 106.63 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.786 HD13 ' C ' ' A' ' 53' ' ' LEU . 1.8 tm? -83.33 128.58 34.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.531 ' N ' HD13 ' A' ' 53' ' ' LEU . 49.9 m -139.52 160.99 38.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.474 ' CD2' HD21 ' A' ' 105' ' ' LEU . 32.5 p90 -172.08 156.82 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -69.92 129.69 40.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -121.78 145.57 47.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.482 ' N ' HD21 ' A' ' 37' ' ' LEU . 5.2 mm-40 -34.87 -50.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -70.32 -60.2 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.527 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.1 m -174.3 169.29 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.4 t -48.66 136.77 12.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 99.1 m -111.89 145.81 38.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.545 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 88.2 m-70 -125.65 118.24 25.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.589 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CD2' HG21 ' A' ' 98' ' ' ILE . 25.8 m-85 -120.95 122.82 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.6 ptm -77.37 141.19 39.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -121.62 114.5 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 3.4 mtmp? -84.16 166.6 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.44 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -117.01 95.66 5.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.685 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.1 mm? -52.19 161.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -74.05 -20.28 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.45 9.17 4.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.3 18.67 79.08 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.0 p -112.53 -175.72 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 15.6 m-85 -137.11 139.9 41.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.647 ' HB3' HD21 ' A' ' 69' ' ' LEU . 5.0 ttt -154.23 129.66 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 77' ' ' PRO . 86.0 mt -71.05 138.61 84.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.75 86.68 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.768 2.312 . . . . 0.0 112.312 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.21 -11.7 1.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -93.42 -175.29 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -125.65 9.72 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.79 160.3 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -131.92 -177.6 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 10.8 m80 -154.98 144.5 21.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.3 p -52.89 -39.72 62.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.559 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 13.0 m -157.78 173.49 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 90' ' ' VAL . 47.9 mt -49.27 -45.29 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.87 -57.78 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.9 -7.01 42.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.506 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -99.16 -23.9 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 86' ' ' LEU . 84.5 t -78.71 -34.5 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 81.3 m -68.97 -44.74 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -67.56 -27.63 67.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -72.81 -25.41 61.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -70.5 -16.44 62.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -113.4 -29.4 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.428 ' N ' HD21 ' A' ' 104' ' ' LEU . 11.0 mmmt -122.27 121.1 27.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -166.51 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.752 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.5 mm -101.44 144.74 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.7 tt0 -38.86 -58.67 1.62 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.752 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.3 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.236 . . . . 0.0 112.316 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -99.57 117.66 34.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.428 ' CD ' ' H ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -82.23 16.46 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -85.88 139.47 31.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.428 HD21 ' N ' ' A' ' 96' ' ' LYS . 12.9 mt -104.17 177.63 4.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.925 HD22 ' HB3' ' A' ' 40' ' ' PHE . 41.3 mt -104.24 166.62 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.563 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.4 p -130.29 -55.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -151.85 151.73 28.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 144.02 52.81 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 42.9 t -76.05 161.01 29.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -118.08 131.86 56.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -49.12 162.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.499 ' HG2' HD21 ' A' ' 31' ' ' LEU . 24.8 mmmt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.623 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.6 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.666 0.746 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.623 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.3 Cg_endo -69.75 176.02 7.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -88.27 -40.41 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.424 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 62.5 p-90 -58.17 -11.87 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -92.8 85.68 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.551 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 40.2 m-70 -86.73 28.76 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.05 -130.94 32.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -111.54 89.34 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 111.069 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.2 pt -98.22 174.08 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 27' ' ' ASP . 48.5 m -94.39 144.2 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -39.63 -43.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.13 -41.94 99.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' SER . 63.6 m-20 -60.37 -65.19 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.79 -55.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -54.9 -42.81 72.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -69.83 -25.2 63.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mt -74.76 -27.86 60.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 HD12 ' A' ' 41' ' ' LEU . 56.9 mt -98.55 -28.37 13.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.1 pt-20 -52.17 -48.47 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.0 t -83.49 13.03 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -114.16 154.57 46.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 152.93 69.11 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.72 2.28 . . . . 0.0 112.309 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.479 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -51.64 125.94 16.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.481 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 115.97 -26.97 8.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.447 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.612 ' O ' HD22 ' A' ' 32' ' ' LEU . 32.9 m -54.22 116.34 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.647 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 15.6 p90 -108.44 153.12 23.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.885 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -160.25 143.57 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.573 ' N ' HD22 ' A' ' 41' ' ' LEU . 97.2 mt -110.91 148.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' VAL . 14.4 ptt85 -140.19 109.18 6.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' ARG . 60.0 t -37.3 135.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.4 t -99.21 158.23 15.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -120.68 -49.85 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.4 m -44.79 -43.53 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -125.56 141.56 51.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.33 116.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.61 -142.21 11.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.434 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.734 ' CD2' HD11 ' A' ' 86' ' ' LEU . 39.2 m-85 -138.53 -179.01 5.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 0.0 110.893 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.1 m -143.66 119.9 10.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 54' ' ' SER . 6.1 tp -96.44 149.83 21.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.429 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 38.4 m -156.26 164.87 37.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.801 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.405 ' CD2' HD21 ' A' ' 105' ' ' LEU . 31.2 p90 -174.34 151.8 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -66.74 123.13 19.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -115.32 144.55 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.107 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.431 ' N ' HD21 ' A' ' 37' ' ' LEU . 20.0 mm-40 -36.88 -46.5 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.5 p -72.76 -64.89 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -170.95 161.38 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -48.3 144.23 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.8 t -120.69 163.66 17.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -142.28 112.16 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.668 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CD2' HG21 ' A' ' 98' ' ' ILE . 4.7 m-85 -110.57 131.91 54.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.2 ptm -87.31 139.95 30.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.0 t -122.22 119.95 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -93.06 173.93 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.813 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.572 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 2.4 tt -116.95 99.48 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.642 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.4 mm? -51.47 -177.44 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -92.73 -22.25 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -80.33 8.52 7.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.64 48.82 7.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.411 ' OG1' HD23 ' A' ' 69' ' ' LEU . 61.3 p -142.7 165.76 26.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.175 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.572 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 2.2 m-85 -126.52 118.87 25.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.9 ptm -131.55 161.43 32.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 77' ' ' PRO . 22.2 mt -94.33 138.67 22.39 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.639 0.733 . . . . 0.0 111.189 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.78 86.06 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.749 2.299 . . . . 0.0 112.281 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.89 -16.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.65 -179.35 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -120.05 20.62 12.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.2 m -148.53 152.05 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.45 -176.08 3.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.509 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 5.2 m80 -148.36 147.15 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.3 p -53.24 -51.44 62.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.48 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 16.7 m -147.98 164.67 33.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.734 HD11 ' CD2' ' A' ' 51' ' ' TYR . 47.2 mt -39.21 -43.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -50.88 -61.75 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.31 -4.56 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.621 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -99.38 -25.14 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 86' ' ' LEU . 93.3 t -79.03 -37.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.5 m -67.9 -53.31 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 20.5 t80 -53.91 -28.21 35.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 6.0 m-70 -70.07 -36.9 75.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -58.81 -15.51 12.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -115.04 -28.68 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -123.27 117.9 27.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -167.79 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.411 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.793 HG22 ' HD2' ' A' ' 100' ' ' PRO . 3.0 mm -101.58 139.47 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.072 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.0 tt0 -34.59 -58.65 0.65 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 121.631 0.729 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.793 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.74 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.623 2.215 . . . . 0.0 112.298 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 98' ' ' ILE . 2.3 mmp_? -99.39 116.56 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -84.64 16.13 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -84.43 134.62 34.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 104' ' ' LEU . 11.6 mt -96.55 169.85 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 40' ' ' PHE . 30.6 mt -97.57 165.51 11.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.481 HG23 ' HA3' ' A' ' 38' ' ' GLY . 5.4 p -125.63 -57.72 1.44 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.406 ' N ' ' OG1' ' A' ' 106' ' ' THR . 8.2 pt20 -152.03 153.68 31.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.651 0.739 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 145.34 57.36 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 35.9 t -82.57 161.51 22.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -113.09 145.38 41.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -70.79 151.6 44.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.503 HG23 ' HD2' ' A' ' 16' ' ' PRO . 13.9 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.596 0.712 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.7 Cg_endo -69.76 163.82 36.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.1 pt-20 -78.19 -30.28 48.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 58.9 p-90 -70.8 -5.21 28.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.481 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 76.0 t80 -102.83 93.02 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -87.78 38.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.481 ' HA2' ' CE2' ' A' ' 19' ' ' PHE . . . 45.54 -106.44 0.12 Allowed Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.485 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.11 98.21 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.634 ' CD1' ' HB2' ' A' ' 28' ' ' ALA . 23.0 pt -108.51 169.92 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 t -95.13 152.93 17.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -49.63 -26.77 3.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.84 -36.66 28.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.72 -54.97 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.634 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -47.95 -58.01 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -56.58 -35.11 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -73.85 -26.88 60.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.5 HD23 ' HG3' ' A' ' 112' ' ' LYS . 6.7 mt -74.94 -29.69 61.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.689 HD11 HD12 ' A' ' 41' ' ' LEU . 15.8 mt -92.81 -25.52 18.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.4 pt-20 -53.26 -43.91 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.9 m -90.13 18.43 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -117.58 156.02 49.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 148.96 66.44 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.63 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -47.53 134.49 12.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.99 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.648 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 105.56 -25.59 23.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.432 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.513 ' O ' HD22 ' A' ' 32' ' ' LEU . 15.2 m -52.96 115.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.612 ' CE1' HG11 ' A' ' 90' ' ' VAL . 32.8 p90 -105.65 166.25 10.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.781 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -169.08 158.2 8.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.81 HD13 HD22 ' A' ' 86' ' ' LEU . 18.4 mt -128.74 141.55 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' VAL . 6.3 ptm180 -131.88 112.76 12.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ARG . 54.2 t -34.11 133.25 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.1 m -80.86 164.22 22.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -131.58 -51.82 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -53.53 -56.18 19.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.779 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -118.74 134.1 55.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 p -51.96 124.86 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.616 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 144.39 -133.24 5.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.425 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.732 ' CD2' HD11 ' A' ' 86' ' ' LEU . 21.0 m-85 -153.79 172.96 16.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.398 . . . . 0.0 110.947 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.1 m -134.6 116.36 14.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.686 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.2 tm? -88.81 131.59 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.497 ' N ' HD22 ' A' ' 53' ' ' LEU . 2.9 m -143.48 157.75 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.775 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.469 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 31.4 p90 -169.54 162.2 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -79.61 124.96 29.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -117.24 146.94 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' ALA . 10.7 mt-30 -34.29 -51.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -69.28 -60.37 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.1 m -174.94 172.04 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.809 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.75 141.74 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.458 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 99.6 m -116.74 146.58 42.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -124.48 133.51 53.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.638 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.73 ' CD2' HG21 ' A' ' 98' ' ' ILE . 34.9 m-85 -136.9 135.82 38.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.3 ptm -90.73 135.79 33.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.402 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 58.3 t -117.4 115.01 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -84.38 163.5 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 tt -110.98 96.64 6.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.79 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.0 OUTLIER -49.88 178.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -85.34 -23.59 27.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.58 22.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.37 24.47 69.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.568 ' OG1' HD23 ' A' ' 69' ' ' LEU . 20.1 p -112.61 177.49 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 17.5 m-85 -132.91 129.61 38.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.79 ' HB3' HD21 ' A' ' 69' ' ' LEU . 3.0 ttt -139.74 125.97 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.647 HG23 ' HD2' ' A' ' 77' ' ' PRO . 70.1 mt -71.99 138.46 82.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.704 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.647 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.84 109.61 2.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.66 -11.84 7.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -97.11 -177.62 3.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.955 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 3.5 mppt? -125.76 18.97 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.99 160.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.484 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -129.51 -175.11 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.499 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 15.4 m-70 -159.5 140.29 12.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.7 p -54.28 -50.34 67.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' LEU . 42.6 m -144.1 156.53 44.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.81 HD22 HD13 ' A' ' 42' ' ' ILE . 54.1 mt -34.34 -47.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -46.57 -60.0 2.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.76 -5.97 18.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.499 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -100.57 -24.87 14.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.612 HG11 ' CE1' ' A' ' 40' ' ' PHE . 81.5 t -79.94 -40.66 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.061 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -62.13 -40.34 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -72.86 -25.13 60.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.412 ' CE1' HD12 ' A' ' 76' ' ' ILE . 2.5 m-70 -73.79 -26.22 60.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -69.78 -10.27 57.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -120.14 -25.2 5.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -127.59 116.88 21.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.665 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.5 Cg_endo -69.74 -169.77 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.743 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -95.48 142.63 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.8 tt0 -35.74 -58.54 0.85 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.674 0.749 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.743 ' HD2' HG22 ' A' ' 98' ' ' ILE . 52.9 Cg_endo -69.86 -50.76 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -97.95 114.95 27.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -83.8 22.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 2.6 tm-20 -88.48 142.0 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.665 HD21 ' HD3' ' A' ' 97' ' ' PRO . 14.7 mt -105.02 175.61 5.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.439 HD13 ' CG ' ' A' ' 40' ' ' PHE . 16.0 mt -106.45 175.41 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.648 HG23 ' HA3' ' A' ' 38' ' ' GLY . 8.6 p -134.96 -62.06 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.3 pt20 -146.02 153.72 49.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.423 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.4 Cg_endo -69.81 142.67 48.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.625 2.217 . . . . 0.0 112.367 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.0 t -77.1 166.63 23.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.446 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 8.1 mmt-85 -121.47 131.69 54.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.28 143.01 56.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.5 ' HG3' HD23 ' A' ' 31' ' ' LEU . 18.5 mtmm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.44 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 11.6 p . . . . . 0 C--O 1.232 0.181 0 CA-C-O 121.608 0.718 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 54.0 Cg_endo -69.79 -177.66 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HA ' ' NE2' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -91.72 -40.36 11.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 52.7 p-90 -61.69 -13.07 19.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -95.84 82.42 3.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.537 ' CE1' HD22 ' A' ' 31' ' ' LEU . 21.4 m-70 -72.76 -19.39 61.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.552 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 96.61 -131.55 10.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.84 95.01 9.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.731 0.3 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 33.3 pt -120.78 161.6 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.01 159.75 15.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.8 tpp85 -39.8 -48.82 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -59.8 -41.23 90.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.431 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 11.6 m-20 -60.91 -56.83 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.14 -48.19 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.54 -38.7 90.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -73.76 -23.24 59.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.537 HD22 ' CE1' ' A' ' 20' ' ' HIS . 7.2 mt -78.28 -28.7 47.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 39' ' ' SER . 11.3 mt -96.04 -24.17 16.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.4 pt-20 -51.54 -46.04 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.466 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.5 t -87.7 16.05 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -115.87 153.96 48.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.582 0.706 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 149.89 67.26 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.55 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -49.05 129.29 17.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.591 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 111.3 -19.68 24.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' HD22 ' A' ' 32' ' ' LEU . 7.2 m -60.72 121.05 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.824 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.731 ' CE1' HG11 ' A' ' 90' ' ' VAL . 29.0 p90 -110.33 168.37 9.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 54' ' ' SER . 0.0 OUTLIER -166.18 172.84 10.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' N ' HD22 ' A' ' 41' ' ' LEU . 16.3 mt -140.78 138.73 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.472 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 10.5 ptm180 -124.26 158.82 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 21' ' ' GLY . 59.3 t -78.58 117.0 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -70.23 151.44 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -125.78 -52.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -50.5 -46.25 57.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -127.04 151.13 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.72 133.79 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.78 -141.9 13.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' CD2' HD11 ' A' ' 86' ' ' LEU . 76.2 m-85 -139.99 -175.44 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.908 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.1 m -146.98 116.56 7.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 93' ' ' HIS . 6.3 tp -91.45 146.9 23.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.559 ' HB2' HD11 ' A' ' 41' ' ' LEU . 50.8 m -153.98 167.15 30.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.487 ' CD2' HD21 ' A' ' 105' ' ' LEU . 38.1 p90 -175.02 156.71 2.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -73.55 128.79 36.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.922 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -120.77 144.62 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' N ' HD21 ' A' ' 37' ' ' LEU . 20.5 mt-30 -34.99 -59.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -65.37 -59.44 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.922 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 94.6 p -164.36 172.92 12.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.7 m -61.32 154.9 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.533 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 29.9 m -111.31 162.05 15.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -151.88 106.35 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.551 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.684 ' CD2' HG21 ' A' ' 98' ' ' ILE . 9.8 m-85 -117.37 144.02 45.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.0 ptm -99.91 136.02 40.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.6 HG12 ' HB3' ' A' ' 74' ' ' PHE . 18.3 t -116.98 104.41 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -71.42 169.77 14.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.5 99.54 7.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.865 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.5 mm? -55.08 173.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -81.0 -21.73 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.09 25.16 1.0 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.27 18.29 60.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.464 HG22 ' HA ' ' A' ' 84' ' ' THR . 80.5 p -108.71 172.32 6.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.333 . . . . 0.0 111.18 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.6 ' HB3' HG12 ' A' ' 66' ' ' VAL . 1.6 m-85 -128.86 127.6 42.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.865 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.3 ttt -134.14 128.98 35.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.654 HG23 ' HD2' ' A' ' 77' ' ' PRO . 71.9 mt -76.44 138.65 67.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.666 0.746 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.78 92.89 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.29 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.18 -14.41 2.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.499 ' O ' ' CE ' ' A' ' 75' ' ' MET . 30.2 mt-10 -94.97 156.22 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 80' ' ' LYS . 10.8 mmmt -100.01 22.38 11.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.08 162.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.454 ' O ' ' CD2' ' A' ' 83' ' ' HIS . . . -130.98 -179.29 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 5.3 m80 -152.94 148.24 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.464 ' HA ' HG22 ' A' ' 73' ' ' THR . 17.7 p -56.29 -47.7 78.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 46.2 m -148.18 178.89 8.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.797 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 90' ' ' VAL . 28.9 mt -53.07 -50.95 63.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -46.78 -56.48 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.96 -7.05 43.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -98.71 -25.28 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.731 HG11 ' CE1' ' A' ' 40' ' ' PHE . 91.9 t -80.15 -49.2 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.2 m -53.03 -41.12 64.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 18.5 t80 -69.83 -30.72 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.476 ' CD2' HD22 ' A' ' 53' ' ' LEU . 4.6 m-70 -69.14 -24.63 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -69.69 -20.39 63.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -111.18 -24.82 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 11.1 mmmt -126.26 118.64 23.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.579 0.704 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.79 -171.5 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.257 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.729 HG22 ' HD2' ' A' ' 100' ' ' PRO . 1.9 mm -97.26 152.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.534 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -45.55 -58.4 6.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.665 0.745 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.729 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.5 Cg_endo -69.8 -50.72 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.384 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -99.56 115.05 28.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.59 8.47 9.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.33 138.22 40.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mt -101.16 176.06 5.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 40' ' ' PHE . 18.1 mt -107.49 171.06 7.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.591 HG23 ' HA3' ' A' ' 38' ' ' GLY . 3.5 p -129.82 -59.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.437 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.6 pt20 -147.97 152.67 40.79 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.37 50.59 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 36.7 t -74.68 156.69 36.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -110.58 142.92 41.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 17' ' ' GLU . 14.6 mp0 -42.22 157.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 111' ' ' GLN . 3.1 mptt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.561 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.6 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.569 0.7 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.596 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 54.3 Cg_endo -69.7 -174.99 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.6 -40.09 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.596 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 57.7 p-90 -58.45 -14.58 8.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -95.85 121.54 37.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.735 ' CE1' HD13 ' A' ' 31' ' ' LEU . 16.4 m-70 -104.2 -54.33 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 126.54 86.04 0.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.532 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.861 ' HB1' ' NE2' ' A' ' 46' ' ' HIS . . . 34.79 37.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.8 0.334 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.488 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 9.1 pt -50.51 170.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 27' ' ' ASP . 3.2 t -87.34 140.53 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -37.6 -40.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -70.38 -39.93 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -58.74 -43.23 90.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.28 93.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.425 ' CD ' ' HB2' ' A' ' 61' ' ' CYS . 3.1 mm-40 -70.98 -33.92 70.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -81.38 -28.83 34.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.735 HD13 ' CE1' ' A' ' 20' ' ' HIS . 5.6 mt -71.58 -30.78 66.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.632 HD11 HD11 ' A' ' 41' ' ' LEU . 14.0 mt -90.9 -27.93 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 34' ' ' SER . 4.7 pt-20 -53.61 -40.77 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 33' ' ' GLU . 3.9 t -85.16 4.71 33.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.798 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -110.63 154.4 43.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.712 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 151.43 69.31 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.689 2.259 . . . . 0.0 112.39 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.567 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -46.84 134.34 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.583 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 108.99 -36.51 4.31 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.533 ' O ' HD22 ' A' ' 32' ' ' LEU . 5.6 m -45.86 119.63 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.81 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.77 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.9 p90 -110.86 168.4 9.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.632 HD11 HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -168.44 166.77 12.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.595 HD12 ' CZ3' ' A' ' 18' ' ' TRP . 21.8 mt -133.32 138.44 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 6.5 ptm180 -126.63 112.11 15.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.743 ' HB ' ' HB2' ' A' ' 22' ' ' ALA . 96.1 t -33.95 130.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.3 m -83.41 157.33 22.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.861 ' NE2' ' HB1' ' A' ' 22' ' ' ALA . 96.6 m-70 -121.05 -40.2 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.06 -50.51 66.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 52.8 p-80 -119.18 174.45 6.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 49' ' ' VAL . 13.8 m -84.79 33.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.552 ' HA3' ' CD2' ' A' ' 48' ' ' HIS . . . -119.58 -142.96 6.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CG ' HD21 ' A' ' 86' ' ' LEU . 97.8 m-85 -140.86 -178.27 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 64' ' ' PHE . 88.5 m -139.55 117.58 11.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.787 HD13 ' C ' ' A' ' 53' ' ' LEU . 1.3 tm? -95.07 137.11 34.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.618 ' H ' HD22 ' A' ' 53' ' ' LEU . 31.0 m -146.04 165.94 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.46 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 39.0 p90 -175.11 164.55 3.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -78.27 124.44 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.535 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -118.79 142.3 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.478 ' N ' HD21 ' A' ' 37' ' ' LEU . 4.1 mm100 -36.83 -54.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.1 p -61.82 -64.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 t -174.29 155.77 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.425 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 1.8 m -41.05 142.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.3 m -119.36 160.99 21.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -142.12 115.98 9.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.609 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.661 ' CD2' HG21 ' A' ' 98' ' ' ILE . 14.1 m-85 -116.77 147.06 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 ptm -100.65 151.3 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 66.8 t -129.93 111.83 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -77.85 164.8 24.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.416 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.3 tt -117.81 100.8 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.606 HD22 ' H ' ' A' ' 69' ' ' LEU . 1.1 mm? -60.28 167.73 2.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -77.11 -13.45 59.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -88.03 21.22 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.99 20.01 64.14 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.403 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.6 p -112.93 170.63 8.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.494 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 48.7 m-85 -123.73 136.68 54.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.5 ' CB ' HD21 ' A' ' 69' ' ' LEU . 6.7 tpt -138.43 135.8 35.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.529 ' CD1' ' NE2' ' A' ' 93' ' ' HIS . 27.1 mt -87.11 132.49 41.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 84.94 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.303 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.51 -30.05 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -86.83 -174.71 5.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -123.39 11.33 9.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.404 ' O ' ' SD ' ' A' ' 75' ' ' MET . 2.6 m -137.06 147.03 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -111.89 -179.07 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 17.3 m-70 -148.12 158.96 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.6 p -68.11 -49.89 58.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 3.5 m -152.29 162.13 41.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.806 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.8 mp -36.38 -45.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.16 -55.66 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.5 -7.74 53.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.496 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.54 -18.76 18.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 86' ' ' LEU . 90.9 t -84.77 -36.82 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.3 m -67.58 -47.63 69.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.66 -30.2 71.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.529 ' NE2' ' CD1' ' A' ' 76' ' ' ILE . 2.7 m-70 -69.27 -30.7 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -65.81 -19.63 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -110.52 -22.96 11.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -130.27 119.7 18.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.529 0.68 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -166.31 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.695 2.264 . . . . 0.0 112.33 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.756 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.3 mm -101.75 144.7 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.536 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.7 tt0 -39.04 -58.33 1.8 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.675 0.75 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.756 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.3 Cg_endo -69.69 -50.26 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.781 2.32 . . . . 0.0 112.328 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.37 115.58 29.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -84.41 26.98 0.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE2' ' N ' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -93.26 144.91 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.438 ' N ' ' OE2' ' A' ' 103' ' ' GLU . 11.2 mt -106.34 179.03 4.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.77 HD22 ' HB3' ' A' ' 40' ' ' PHE . 28.0 mt -110.7 168.05 9.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.583 HG23 ' HA3' ' A' ' 38' ' ' GLY . 1.8 p -129.69 -55.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -154.18 152.42 26.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.545 0.688 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.31 53.58 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.322 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 46.8 t -78.72 151.33 32.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.67 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -39.17 148.44 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.9 pttp . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.583 HG23 ' HD2' ' A' ' 16' ' ' PRO . 8.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.609 0.718 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.82 -176.86 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.722 2.282 . . . . 0.0 112.312 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 4.9 pt-20 -93.89 -27.2 16.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.58 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 58.7 p-90 -72.0 -4.62 29.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -100.55 91.15 4.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.611 ' O ' HG23 ' A' ' 23' ' ' ILE . 34.2 m-70 -85.93 34.96 0.61 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.42 -128.22 45.75 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.77 88.13 2.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 20' ' ' HIS . 14.4 pt -107.36 165.1 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' ASP . 15.7 m -104.8 145.36 30.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.515 ' HG3' ' N ' ' A' ' 26' ' ' GLU . 39.1 ptt85 -34.26 -42.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 11.9 pt-20 -56.01 -50.33 71.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -65.49 -46.5 79.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.807 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.01 -51.0 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.02 -38.96 80.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -71.1 -26.06 62.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.682 HD21 ' HG2' ' A' ' 112' ' ' LYS . 4.0 mt -75.79 -33.42 60.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.849 HD21 HD12 ' A' ' 41' ' ' LEU . 12.7 mt -89.08 -28.0 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.7 pt-20 -49.16 -44.43 42.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.446 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.5 t -90.84 24.12 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -124.03 155.9 66.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.04 66.49 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.728 2.285 . . . . 0.0 112.312 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.506 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -49.57 127.47 15.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.608 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 112.77 -22.75 16.05 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.646 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.8 m -57.2 119.45 6.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.803 ' HB3' HD22 ' A' ' 105' ' ' LEU . 42.9 p90 -110.97 164.1 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.849 HD12 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -167.56 149.23 5.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.578 HG21 HD13 ' A' ' 86' ' ' LEU . 62.2 mt -117.87 141.33 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.513 ' CB ' ' CG1' ' A' ' 23' ' ' ILE . 17.8 ptt85 -130.37 127.69 39.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.1 t -41.59 133.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 m -80.46 161.73 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -122.93 -42.35 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -57.23 -54.85 42.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -113.22 175.84 5.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.804 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.5 m -85.09 28.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.462 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -112.35 -136.52 6.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.533 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.786 ' CD2' HD11 ' A' ' 86' ' ' LEU . 23.9 m-85 -145.13 -179.6 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.895 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.496 HG21 ' NH2' ' A' ' 43' ' ' ARG . 97.3 m -137.07 116.66 12.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tp -96.11 138.13 34.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.6 m -147.25 167.75 23.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 64' ' ' PHE . 53.3 p90 -175.05 164.65 3.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -83.4 127.31 33.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.447 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -118.73 152.34 36.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.05 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -42.51 -41.9 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -74.03 -64.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -174.73 165.86 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.1 m -48.6 141.17 7.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.9 m -123.09 149.2 44.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -124.58 123.0 39.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.615 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.751 ' CE2' HG21 ' A' ' 98' ' ' ILE . 53.0 m-85 -119.22 138.74 52.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 ptm -99.89 136.15 40.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.612 HG22 HG12 ' A' ' 76' ' ' ILE . 71.4 t -121.69 113.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -79.11 176.27 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -118.31 102.92 9.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 75' ' ' MET . 3.1 mm? -55.32 176.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -84.74 -24.75 28.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -81.29 12.8 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.22 12.6 84.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.494 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.626 HG22 ' HA ' ' A' ' 84' ' ' THR . 82.7 p -100.74 -177.78 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 5.4 m-85 -137.78 124.0 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.689 ' HB3' HD21 ' A' ' 69' ' ' LEU . 3.0 ttt -130.19 132.68 46.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.612 HG12 HG22 ' A' ' 66' ' ' VAL . 75.8 mt -76.59 135.28 68.58 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.612 0.72 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.532 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.74 80.37 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.743 2.296 . . . . 0.0 112.313 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.08 -28.68 0.3 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -83.34 -176.15 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.12 19.47 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.77 162.81 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 75' ' ' MET . . . -131.88 177.33 7.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 7.1 m80 -150.25 148.7 29.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.626 ' HA ' HG22 ' A' ' 73' ' ' THR . 17.3 p -53.55 -53.55 50.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.048 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.556 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 9.4 m -144.67 159.64 42.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.814 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.786 HD11 ' CD2' ' A' ' 51' ' ' TYR . 68.7 mt -36.73 -47.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -48.05 -59.64 3.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.84 -8.94 40.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.506 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -96.13 -26.3 15.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.487 HG11 ' CE2' ' A' ' 40' ' ' PHE . 53.4 t -75.46 -47.74 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.7 m -55.44 -50.56 69.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.1 -31.25 69.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -66.29 -37.26 85.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -58.22 -18.9 29.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -110.89 -22.26 11.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.48 115.65 18.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.695 ' HD3' HD21 ' A' ' 104' ' ' LEU . 54.4 Cg_endo -69.76 -174.93 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.773 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -89.07 144.68 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -37.91 -58.73 1.32 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.731 . . . . 0.0 110.835 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.773 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.3 Cg_endo -69.76 -52.16 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.362 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HD3' ' CE2' ' A' ' 64' ' ' PHE . 3.7 mpt_? -91.52 115.0 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -85.28 26.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -99.15 143.96 28.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.695 HD21 ' HD3' ' A' ' 97' ' ' PRO . 15.6 mt -102.87 174.93 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 40' ' ' PHE . 21.9 mt -101.1 171.25 7.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.608 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.7 p -130.27 -57.33 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.413 ' N ' ' OG1' ' A' ' 106' ' ' THR . 23.4 pt20 -152.36 150.37 25.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 145.77 58.17 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.662 2.242 . . . . 0.0 112.385 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 47.1 t -74.72 163.72 27.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.498 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 6.6 mmt180 -119.94 136.04 54.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -44.57 161.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.682 ' HG2' HD21 ' A' ' 31' ' ' LEU . 23.1 mmmt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 16' ' ' PRO . 86.1 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.645 0.736 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.1 Cg_endo -69.86 176.45 6.82 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.277 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.2 -41.97 14.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.653 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 64.1 p-90 -58.95 -12.96 5.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 66.2 t80 -98.34 117.11 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.645 ' HE1' HD22 ' A' ' 31' ' ' LEU . 36.7 m-70 -110.34 20.48 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 68.1 -106.5 1.74 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.18 80.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.411 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 14.6 pt -94.34 172.54 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.066 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 m -102.24 159.47 15.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -45.66 -54.03 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 10.5 pt-20 -55.13 -44.61 75.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 79.7 m-20 -55.88 -57.47 11.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.26 -51.82 31.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -58.85 -35.39 72.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -75.59 -25.53 57.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.645 HD22 ' HE1' ' A' ' 20' ' ' HIS . 5.2 mt -75.68 -28.1 58.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.619 HD11 HD12 ' A' ' 41' ' ' LEU . 18.3 mt -95.86 -26.16 15.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.9 pt-20 -52.5 -46.36 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.471 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.8 m -85.57 10.79 12.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -112.69 155.0 44.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.594 0.711 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 153.0 69.3 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -51.57 131.93 29.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.613 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 108.91 -21.91 26.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 m -57.23 122.38 12.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.387 . . . . 0.0 110.904 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.779 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.9 p90 -110.6 158.06 18.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.828 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.48 147.67 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.83 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.654 HD13 HD22 ' A' ' 86' ' ' LEU . 69.4 mt -118.04 145.26 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.497 HH12 HG22 ' A' ' 52' ' ' THR . 13.0 ptt-85 -135.76 120.02 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 21' ' ' GLY . 90.6 t -44.41 106.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.5 p -73.32 141.47 47.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -110.92 -38.16 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.6 m -48.06 -55.12 10.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -124.44 143.45 50.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 49' ' ' VAL . 12.7 p -52.7 120.68 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.61 -152.62 20.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.841 ' CD2' HD11 ' A' ' 86' ' ' LEU . 4.0 m-85 -130.46 171.82 12.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.931 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.497 HG22 HH12 ' A' ' 43' ' ' ARG . 64.2 m -133.41 93.93 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.17 142.37 54.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.2 m -150.67 165.25 33.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.581 ' CD2' HD21 ' A' ' 105' ' ' LEU . 9.5 p90 -174.75 143.28 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -56.44 125.33 21.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -118.1 143.43 46.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ALA . 22.9 mt-30 -35.87 -55.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.8 p -65.94 -60.12 3.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 15.6 t -174.35 154.35 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.814 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 4.4 m -35.48 148.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.1 m -119.92 147.1 45.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -130.56 114.97 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.611 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.601 ' CD1' HG21 ' A' ' 98' ' ' ILE . 36.2 m-85 -115.7 124.38 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.6 ptm -78.81 142.95 36.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.439 HG22 HG12 ' A' ' 76' ' ' ILE . 90.4 t -124.92 129.88 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 166.97 10.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.05 94.75 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.7 mm? -48.01 169.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -75.64 -22.56 56.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -84.59 21.32 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.16 17.95 66.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.3 p -106.83 179.94 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.185 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 14.2 m-85 -129.57 135.1 48.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.845 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -142.87 132.18 23.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.64 HG23 ' HD2' ' A' ' 77' ' ' PRO . 59.8 mt -83.87 138.64 40.26 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.573 0.701 . . . . 0.0 111.165 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.64 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.3 Cg_endo -69.73 85.67 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.03 -19.47 0.56 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' CE ' ' A' ' 75' ' ' MET . 57.9 mm-40 -98.79 155.33 17.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.986 0.422 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.457 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 4.6 mmmm -99.1 31.28 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.89 165.59 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.17 177.33 7.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -148.75 150.49 33.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.3 p -55.68 -50.77 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.575 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 4.2 m -148.91 175.9 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.841 HD11 ' CD2' ' A' ' 51' ' ' TYR . 84.7 mt -49.64 -49.92 45.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.36 -54.1 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.66 -11.07 60.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.636 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -98.17 -15.98 19.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 86' ' ' LEU . 80.3 t -87.71 -37.32 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.5 m -70.71 -43.84 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -64.21 -30.62 71.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -67.91 -36.2 79.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -53.05 -19.1 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -113.03 -28.59 7.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.53 112.43 29.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.74 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.4 Cg_endo -69.75 -164.08 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.655 2.237 . . . . 0.0 112.283 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.733 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -98.91 139.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -35.04 -58.5 0.72 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.667 0.746 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.733 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.75 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -100.49 112.41 24.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.9 -11.7 60.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.73 128.45 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.74 HD21 ' HD3' ' A' ' 97' ' ' PRO . 10.4 mt -94.28 177.9 5.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 40' ' ' PHE . 34.6 mt -106.59 151.74 24.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.591 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.0 p -114.99 -54.87 2.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -153.51 153.26 28.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.51 0.672 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.38 53.83 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.68 148.35 35.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -102.85 150.62 23.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.421 ' NE2' ' ND1' ' A' ' 20' ' ' HIS . 9.9 mm100 -46.02 172.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.3 pttt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.465 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 8.7 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.634 0.731 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.9 Cg_endo -69.69 -179.77 3.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.411 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -92.96 -40.03 10.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.445 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 56.6 p-90 -56.94 -14.59 3.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -89.41 88.26 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -84.84 39.93 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.27 -113.39 0.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.16 84.52 2.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.4 pt -96.87 -179.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 m -102.17 140.93 35.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' SER . 25.1 ttt180 -35.17 -46.93 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 16.4 pt-20 -62.96 -51.79 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 1.3 m-20 -53.65 -39.47 65.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.88 -61.73 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.65 ' CD ' ' CE1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -54.94 -38.47 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -67.43 -30.35 70.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.699 HD21 ' HG3' ' A' ' 112' ' ' LYS . 3.4 mt -71.56 -27.83 63.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.969 HD11 HD12 ' A' ' 41' ' ' LEU . 16.3 mt -93.15 -27.21 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.978 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.0 pt-20 -52.01 -43.04 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.423 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.0 m -88.83 15.48 8.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -114.53 156.71 44.28 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.701 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 149.58 67.38 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.716 2.278 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.551 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -47.7 131.09 14.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.59 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 110.76 -32.4 6.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.529 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.575 ' O ' HD22 ' A' ' 32' ' ' LEU . 15.5 m -49.22 122.32 5.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.784 ' HB3' HD22 ' A' ' 105' ' ' LEU . 32.5 p90 -115.9 164.76 13.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.969 HD12 HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -168.17 163.01 13.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.84 ' N ' HD22 ' A' ' 41' ' ' LEU . 93.7 mt -134.11 158.47 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.528 ' N ' HG22 ' A' ' 42' ' ' ILE . 9.6 ptt85 -149.5 112.14 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.6 t -39.01 112.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.5 p -72.3 165.55 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.786 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -127.95 -35.43 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 t -58.28 -66.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -102.48 143.49 32.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.637 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.3 p -61.7 94.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 166.92 -137.01 4.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 19.1 m-85 -146.26 -177.62 5.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.933 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.9 m -142.73 119.31 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -99.98 132.67 45.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.484 ' HB3' HD11 ' A' ' 41' ' ' LEU . 2.5 t -136.08 153.2 51.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.67 ' CE2' ' CE2' ' A' ' 64' ' ' PHE . 7.7 p90 -164.29 146.59 8.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -62.79 129.57 41.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.509 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -122.19 138.7 54.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.508 ' N ' HD21 ' A' ' 37' ' ' LEU . 22.7 mt-30 -34.46 -42.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.8 m -71.09 -69.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.2 m -174.64 161.59 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 60' ' ' SER . 26.4 p -34.62 135.9 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.2 m -130.17 145.56 51.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.65 ' CE1' ' CD ' ' A' ' 29' ' ' GLU . 87.8 m-70 -119.04 139.6 51.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 109.57 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.786 ' CD1' HG21 ' A' ' 98' ' ' ILE . 41.5 m-85 -133.87 100.43 4.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.9 ptm -68.34 140.24 55.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.7 t -121.15 104.38 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -71.33 169.71 14.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 tt -118.16 105.62 11.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.699 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.4 mm? -60.72 165.94 3.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -75.05 -20.27 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.76 13.32 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.67 18.61 77.4 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.7 p -109.32 178.38 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.148 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 14.5 m-85 -132.8 137.9 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.699 ' HB3' HD21 ' A' ' 69' ' ' LEU . 2.7 ttt -150.3 133.4 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.435 ' CD1' ' NE2' ' A' ' 93' ' ' HIS . 23.4 mt -75.47 132.44 75.68 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.588 0.709 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 82.59 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.96 -17.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 99' ' ' GLU . 6.3 mm-40 -99.75 -175.34 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.952 0.406 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -123.24 21.15 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.42 153.17 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.488 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -124.81 -174.87 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.521 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 7.0 m80 -159.99 142.31 13.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 74.9 p -50.26 -52.45 36.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.564 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 68.4 m -141.53 171.68 13.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.547 ' HA ' HD23 ' A' ' 89' ' ' LEU . 4.6 mt -54.12 -49.3 69.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -52.07 -20.22 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.63 -13.28 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -96.17 -20.35 18.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.658 HG11 ' CE2' ' A' ' 40' ' ' PHE . 65.5 t -79.21 -44.17 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 40.1 m -57.81 -44.83 86.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 24.9 t80 -65.31 -28.51 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.435 ' NE2' ' CD1' ' A' ' 76' ' ' ILE . 2.7 m-70 -68.81 -23.78 64.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.27 -18.98 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.66 -27.44 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 7.9 mmmt -123.96 118.51 26.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.26 2.79 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.786 HG21 ' CD1' ' A' ' 64' ' ' PHE . 2.1 mm -90.17 150.15 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.532 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -43.86 -58.44 4.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.663 0.744 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.76 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.82 -48.22 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.634 2.223 . . . . 0.0 112.328 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -100.52 111.88 24.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.44 ' CD ' ' H ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -77.82 7.03 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -79.13 146.23 33.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.4 mt -104.74 176.42 5.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.784 HD22 ' HB3' ' A' ' 40' ' ' PHE . 46.1 mt -103.14 165.68 10.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.59 HG23 ' HA3' ' A' ' 38' ' ' GLY . 1.6 p -127.24 -58.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.432 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.9 pt20 -151.48 152.9 31.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.663 0.744 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 143.91 52.62 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.658 2.239 . . . . 0.0 112.38 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 34.2 t -75.81 163.06 27.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -117.54 142.1 47.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -66.67 153.01 44.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.699 ' HG3' HD21 ' A' ' 31' ' ' LEU . 6.3 mtpm? . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 16' ' ' PRO . 85.8 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.82 -179.55 3.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.388 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' OE1' ' NE ' ' A' ' 110' ' ' ARG . 6.2 pt-20 -90.58 -28.23 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 56.3 p-90 -74.22 -4.79 38.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -101.68 100.47 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.407 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 4.0 m-70 -99.33 41.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 42.71 -127.0 4.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.529 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -112.79 115.55 28.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.726 0.298 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CG1' ' HD2' ' A' ' 43' ' ' ARG . 6.1 pt -125.29 -177.61 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASP . 12.9 p -100.92 148.48 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -44.35 -29.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.48 -33.21 48.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' SER . 61.4 m-20 -68.62 -53.53 22.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.538 ' HB2' ' HD3' ' A' ' 43' ' ' ARG . . . -48.05 -51.45 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -62.83 -40.32 97.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -67.73 -23.08 65.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mt -78.92 -31.72 45.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.704 HD11 HD12 ' A' ' 41' ' ' LEU . 20.0 mt -93.43 -24.39 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.519 ' CG ' ' N ' ' A' ' 34' ' ' SER . 3.8 pt-20 -54.71 -48.67 72.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.519 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 48.9 m -79.62 1.91 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -106.31 152.42 40.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.669 0.747 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.7 59.48 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.644 2.229 . . . . 0.0 112.356 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.794 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -51.92 131.41 31.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.538 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 112.52 -32.28 6.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.574 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' HD22 ' A' ' 32' ' ' LEU . 4.6 m -51.14 119.38 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.629 ' HB3' HD22 ' A' ' 105' ' ' LEU . 29.6 p90 -112.08 159.22 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.903 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -162.13 136.92 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.707 HD13 HD22 ' A' ' 86' ' ' LEU . 54.6 mt -106.86 151.09 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.097 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.538 ' HD3' ' HB2' ' A' ' 28' ' ' ALA . 8.7 mtm180 -137.42 172.93 12.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 t -90.3 112.86 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -73.6 119.14 17.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -79.52 -45.53 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.7 t -49.17 -43.89 42.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.418 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 9.8 p-80 -140.12 126.34 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 49' ' ' VAL . 4.3 p -49.98 111.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.57 -128.05 1.56 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.619 ' CD2' HD11 ' A' ' 86' ' ' LEU . 71.3 m-85 -154.35 163.54 39.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.2 m -129.24 111.64 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.217 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.649 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.9 tm? -85.4 127.27 34.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -141.47 159.15 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.62 ' CD2' HD21 ' A' ' 105' ' ' LEU . 26.3 p90 -172.19 147.98 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -61.88 126.95 29.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.794 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -115.63 147.58 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.461 ' N ' HD21 ' A' ' 37' ' ' LEU . 21.2 mm-40 -45.75 -36.34 5.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -83.8 -66.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -165.12 155.18 13.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.1 t -44.09 142.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -118.5 162.06 18.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -147.97 109.21 4.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.545 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.787 ' CD2' HG21 ' A' ' 98' ' ' ILE . 11.7 m-85 -110.46 124.86 52.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.4 ptm -74.71 148.19 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.9 t -131.05 116.43 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 4.7 mtmp? -84.06 161.86 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.99 86.31 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 69' ' ' LEU . 1.8 mm? -44.23 161.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -74.91 -20.38 59.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.21 6.26 8.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.49 76.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.459 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.2 p -107.96 -177.69 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 85' ' ' SER . 9.9 m-85 -141.43 125.07 16.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.445 ' HB3' HD21 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -142.34 137.47 30.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 77' ' ' PRO . 79.2 mt -78.19 138.35 60.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.673 0.749 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.75 81.71 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.709 2.273 . . . . 0.0 112.259 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.94 -20.4 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -89.35 -178.28 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 18.83 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.25 157.37 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -128.29 -176.71 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.06 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 9.8 m80 -151.18 151.93 32.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.6 p -62.18 -44.57 96.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.512 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 3.9 m -149.93 164.47 35.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.707 HD22 HD13 ' A' ' 42' ' ' ILE . 77.9 mt -42.0 -50.89 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.14 -59.7 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.83 -4.82 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.513 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -98.29 -27.59 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.55 HG11 ' CZ ' ' A' ' 40' ' ' PHE . 88.5 t -79.54 -39.25 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.7 m -63.82 -46.71 83.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -65.25 -25.75 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.461 ' CE1' ' HG ' ' A' ' 89' ' ' LEU . 16.6 m170 -72.18 -43.7 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.811 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -49.04 -19.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -112.33 -26.26 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -124.38 110.77 28.41 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.59 0.709 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.812 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.0 Cg_endo -69.81 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.787 HG21 ' CD2' ' A' ' 64' ' ' PHE . 1.8 mm -92.22 139.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.531 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.9 tt0 -34.78 -58.5 0.68 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.706 0.765 . . . . 0.0 110.923 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.768 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.77 -46.81 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.375 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 61.5 mmt-85 -102.99 112.79 25.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -10.53 59.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.75 142.24 41.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.812 HD21 ' HD3' ' A' ' 97' ' ' PRO . 15.8 mt -108.3 -179.04 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' A' ' 40' ' ' PHE . 37.4 mt -107.03 165.04 11.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.51 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.1 p -128.53 -58.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.433 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.1 pt20 -148.93 152.34 36.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.525 0.679 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.443 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.2 Cg_endo -69.69 145.95 59.16 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 42.9 t -79.68 162.23 25.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.407 ' NE ' ' OE1' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -119.08 132.76 56.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -56.87 145.84 28.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.3 mttt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.659 0.742 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 18' ' ' TRP . 53.1 Cg_endo -69.79 170.74 15.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.72 -39.87 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.504 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 65.2 p-90 -59.27 -11.54 4.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -100.02 105.76 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 111' ' ' GLN . 35.0 m80 -104.84 39.5 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.91 -118.59 2.74 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.475 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.43 104.35 11.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 0.0 111.06 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 pt -113.32 175.79 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -98.15 145.68 26.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.782 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -42.77 -32.89 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.77 -41.23 60.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.67 -56.99 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.08 -58.33 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -55.43 -44.01 75.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -70.18 -22.17 62.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mt -77.38 -31.68 54.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 HD12 ' A' ' 41' ' ' LEU . 20.5 mt -93.52 -24.79 17.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.2 pt-20 -56.46 -46.27 80.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.475 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 50.7 m -85.07 11.75 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -111.28 157.79 37.96 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 151.96 69.26 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.742 2.295 . . . . 0.0 112.302 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -51.96 130.58 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.566 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 107.95 -19.33 32.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.529 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -58.22 123.34 15.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 105' ' ' LEU . 34.9 p90 -117.3 150.68 38.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.91 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -160.49 142.9 12.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.584 ' N ' HD22 ' A' ' 41' ' ' LEU . 55.5 mt -114.03 158.5 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.515 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -151.05 140.68 21.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -55.65 122.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.2 m -75.01 164.26 26.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -125.37 -47.87 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.0 t -54.26 -58.7 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -115.28 142.79 46.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.82 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 p -62.78 123.77 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.608 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 142.69 -128.98 3.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.777 ' CD2' HD11 ' A' ' 86' ' ' LEU . 31.2 m-85 -155.33 169.64 23.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.926 0.393 . . . . 0.0 110.926 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.6 m -135.66 117.54 15.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 93' ' ' HIS . 12.9 tp -86.38 134.53 33.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -139.25 156.3 47.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -171.03 150.74 3.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -68.02 132.43 47.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.998 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -123.25 141.47 51.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' ALA . 12.6 mt-30 -35.79 -39.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.8 m -78.7 -62.91 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.9 p -173.6 164.58 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 72.9 m -52.23 130.14 29.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 t -114.98 158.82 21.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.493 ' ND1' ' NH2' ' A' ' 43' ' ' ARG . 81.5 m-70 -132.32 138.89 47.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.849 ' CE1' HG21 ' A' ' 98' ' ' ILE . 60.1 m-85 -134.2 127.8 32.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.5 ptm -86.96 136.08 33.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 76' ' ' ILE . 57.5 t -119.94 108.64 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -76.22 158.26 31.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 tt -104.02 102.65 12.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.747 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.1 mm? -54.44 162.87 1.0 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -71.79 -25.75 62.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -76.21 6.82 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.18 16.65 76.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.532 HG22 ' HA ' ' A' ' 84' ' ' THR . 71.2 p -108.5 -179.63 3.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 111.145 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.518 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 21.1 m-85 -131.87 131.51 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.747 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.7 ttt -139.93 126.88 20.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 66' ' ' VAL . 89.5 mt -72.61 131.63 84.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.719 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 83.49 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.766 2.31 . . . . 0.0 112.307 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.71 -15.01 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.43 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 99' ' ' GLU . 7.9 mm-40 -101.14 -175.0 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.373 . . . . 0.0 110.888 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.23 19.48 9.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.72 156.41 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.499 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -126.15 -174.89 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 8.7 m-70 -159.66 136.12 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.532 ' HA ' HG22 ' A' ' 73' ' ' THR . 50.6 p -44.42 -49.42 9.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.171 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.475 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 5.9 m -149.67 171.57 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.777 HD11 ' CD2' ' A' ' 51' ' ' TYR . 34.6 mt -45.62 -46.03 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -57.85 5.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.94 -6.53 39.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.649 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -100.28 -20.89 15.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.528 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 60.0 t -81.28 -42.43 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.3 m -65.68 -46.35 79.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -62.63 -29.48 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.442 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.9 m-70 -71.38 -29.46 64.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -64.74 -15.82 62.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -115.25 -27.7 7.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -124.65 108.33 28.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.581 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.7 Cg_endo -69.78 179.28 3.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.64 2.226 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.849 HG21 ' CE1' ' A' ' 64' ' ' PHE . 1.9 mm -80.86 149.17 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.6 tt0 -42.0 -58.61 3.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.651 0.738 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.761 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.82 -51.19 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.753 2.302 . . . . 0.0 112.3 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -93.81 114.27 26.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -17.64 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.79 142.87 17.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.581 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.8 mt -108.11 175.63 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 40' ' ' PHE . 31.5 mt -98.13 159.33 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.56 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.2 p -122.84 -57.77 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.423 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.6 pt20 -151.19 151.29 29.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.3 50.46 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.2 t -76.81 161.32 28.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -116.99 136.99 52.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.423 ' HA ' ' CD2' ' A' ' 20' ' ' HIS . 1.9 pt20 -58.03 150.05 21.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.61 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.3 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.638 0.732 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.2 Cg_endo -69.81 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.46 -27.36 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.519 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 61.0 p-90 -73.45 -12.45 60.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -97.14 105.06 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.567 ' CE1' HD22 ' A' ' 31' ' ' LEU . 10.3 m-70 -101.61 34.7 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 53.92 -130.29 43.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.72 99.48 9.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.446 HD11 ' HB3' ' A' ' 43' ' ' ARG . 22.3 pt -111.59 177.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' ASP . 57.7 m -107.28 147.45 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.82 -45.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.1 -43.81 98.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' SER . 91.0 m-20 -58.25 -58.15 9.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.55 -53.29 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -58.23 -38.38 76.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -72.24 -27.93 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 20' ' ' HIS . 4.8 mt -72.94 -28.87 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.702 HD21 HD12 ' A' ' 41' ' ' LEU . 22.9 mt -93.46 -31.01 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.959 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.8 pt-20 -46.29 -44.46 16.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 26.2 m -94.08 32.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -131.08 156.25 80.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 153.55 69.1 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.589 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -55.74 124.53 17.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.62 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 112.17 -9.35 26.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -66.65 119.28 11.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.98 0.419 . . . . 0.0 110.826 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.77 ' CE1' HG11 ' A' ' 90' ' ' VAL . 19.1 p90 -107.34 152.41 24.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.912 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -161.6 141.23 10.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.747 HD13 HD22 ' A' ' 86' ' ' LEU . 56.3 mt -110.29 157.66 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.506 ' N ' HG22 ' A' ' 42' ' ' ILE . 4.5 ptm180 -143.47 136.43 27.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.3 91.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.0 t -54.31 153.43 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -121.13 -37.68 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.7 m -48.47 -68.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -107.45 161.97 14.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 p -70.14 111.62 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.67 -133.06 4.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.422 ' CD2' HD11 ' A' ' 86' ' ' LEU . 51.1 m-85 -144.53 -175.26 4.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.012 0.434 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 64' ' ' PHE . 96.4 m -145.63 110.05 5.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -86.69 143.54 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 m -151.74 162.89 40.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -167.55 148.35 5.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -70.73 118.16 13.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.927 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -105.95 160.06 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ALA . 5.7 mm-40 -36.53 93.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' ALA . 2.0 t 47.64 47.99 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.927 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.9 p -175.73 117.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.789 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.5 t -91.97 145.92 24.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.72 161.23 30.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -142.07 105.84 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.532 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.727 ' O ' HG23 ' A' ' 52' ' ' THR . 28.3 m-85 -92.36 156.52 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.5 ptm -110.38 140.96 44.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 61.3 t -124.24 122.97 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 166.51 13.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.472 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -112.4 89.94 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.2 mm? -45.25 170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.01 -23.25 48.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -80.47 9.36 6.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.38 19.92 77.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.2 p -108.67 176.61 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.472 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 19.8 m-85 -130.66 135.3 47.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.645 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.5 tpt -147.77 141.06 25.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 77' ' ' PRO . 24.2 mt -91.14 138.47 25.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 111.092 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.69 82.72 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 163.95 -28.13 0.22 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.5 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -85.51 -177.47 6.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -121.69 1.74 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.54 148.87 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.4 -177.37 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 13.7 m80 -147.79 165.06 31.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 72.4 p -75.67 -43.64 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.438 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 56.4 m -151.12 163.09 39.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.747 HD22 HD13 ' A' ' 42' ' ' ILE . 44.1 mt -42.33 -49.41 5.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -47.97 -54.09 13.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.83 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.82 -9.79 59.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.63 -20.58 17.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.77 HG11 ' CE1' ' A' ' 40' ' ' PHE . 81.3 t -83.2 -38.57 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.2 m -62.38 -46.57 88.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -65.56 -32.18 73.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -67.21 -32.93 74.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -62.5 -19.06 63.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -111.41 -29.3 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -121.49 119.22 29.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.524 0.678 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.553 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.9 Cg_endo -69.75 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.788 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.7 mm -97.85 150.17 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.524 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.6 tt0 -42.07 -58.83 3.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.74 0.781 . . . . 0.0 110.979 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.788 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.8 Cg_endo -69.75 -54.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 101' ' ' ARG . 0.4 OUTLIER -94.22 120.55 34.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -83.27 -10.47 58.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.81 138.56 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.553 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.3 mt -102.95 -176.33 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 40' ' ' PHE . 11.7 mt -108.86 172.41 6.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.62 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.6 p -134.39 -53.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -154.92 151.94 24.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 142.84 48.94 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 51.5 t -77.55 161.83 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -113.24 154.2 27.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -66.36 155.09 38.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 16' ' ' PRO . 87.3 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.651 0.739 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.5 Cg_endo -69.78 -163.81 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.397 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.2 pt-20 -101.28 -29.34 12.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -73.52 -10.7 59.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -98.87 92.38 5.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.593 ' CE1' HD22 ' A' ' 31' ' ' LEU . 23.9 m-70 -86.48 25.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.42 -117.79 10.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.79 85.88 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.6 pt -97.84 178.67 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 m -105.07 169.33 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -55.73 -55.27 34.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 17.9 pm0 -57.45 -30.18 64.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.473 ' N ' ' HG2' ' A' ' 26' ' ' GLU . 8.0 m-20 -73.18 -50.99 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.16 -51.16 67.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.17 -35.74 76.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -72.92 -24.67 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.795 HD21 ' HD2' ' A' ' 112' ' ' LYS . 4.8 mt -76.82 -25.81 53.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.773 HD11 HD12 ' A' ' 41' ' ' LEU . 25.5 mt -99.32 -25.92 14.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.979 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.4 pt-20 -51.96 -47.08 64.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 16.4 m -84.79 12.81 6.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -114.42 153.41 46.57 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.74 69.51 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.63 2.22 . . . . 0.0 112.403 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.548 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -50.17 126.76 15.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.949 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.613 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 115.79 -25.39 9.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.492 ' O ' HD22 ' A' ' 32' ' ' LEU . 30.7 m -56.85 119.63 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.86 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.622 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 25.2 p90 -108.97 157.24 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.816 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.69 150.32 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.663 ' N ' HD22 ' A' ' 41' ' ' LEU . 14.7 mt -120.86 157.02 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.502 ' N ' HG22 ' A' ' 42' ' ' ILE . 10.3 ptt85 -147.48 117.24 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' ARG . 47.5 t -37.28 133.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -94.32 158.52 15.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 47' ' ' SER . 29.9 m170 -122.59 -62.26 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 46' ' ' HIS . 12.2 t -35.04 -45.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -131.14 143.01 50.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 49' ' ' VAL . 8.6 p -62.49 119.47 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.556 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 149.57 -124.44 1.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 59.1 m-85 -161.89 -177.1 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.931 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 64' ' ' PHE . 95.3 m -142.96 118.41 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.781 HD13 ' C ' ' A' ' 53' ' ' LEU . 0.8 OUTLIER -94.49 132.34 39.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.629 ' N ' HD22 ' A' ' 53' ' ' LEU . 3.1 m -140.53 156.55 46.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.523 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 53.8 p90 -168.73 147.08 4.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -62.18 131.5 49.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.548 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -122.27 144.73 48.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.444 ' N ' HD21 ' A' ' 37' ' ' LEU . 7.0 mt-30 -37.58 -45.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -74.03 -63.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m -170.44 161.53 7.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.425 ' SG ' HD12 ' A' ' 32' ' ' LEU . 2.8 t -44.04 144.22 0.97 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 55' ' ' TYR . 29.6 p -118.33 146.02 44.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -125.89 112.78 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.575 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.783 ' O ' HG23 ' A' ' 52' ' ' THR . 53.3 m-85 -117.7 149.45 40.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.9 ptm -109.02 145.23 35.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.2 t -121.45 118.91 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -85.59 165.5 17.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.457 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -109.0 106.05 15.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.528 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.6 mm? -63.27 157.73 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.92 -23.83 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -74.0 -5.85 43.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.72 12.41 55.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.538 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.473 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 30.9 p -104.76 -178.84 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.857 0.361 . . . . 0.0 111.085 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -141.8 126.85 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.4 ptm -142.28 157.99 44.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.659 HG23 ' HD2' ' A' ' 77' ' ' PRO . 22.8 mt -88.8 138.28 29.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.1 Cg_endo -69.76 90.8 0.51 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.742 2.295 . . . . 0.0 112.331 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.08 -21.16 0.76 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -90.68 -178.96 5.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.986 0.422 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.59 22.41 10.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.12 156.08 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.501 ' O ' ' CD2' ' A' ' 83' ' ' HIS . . . -126.32 -177.92 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 6.0 m80 -152.45 139.96 19.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.1 p -45.24 -48.98 12.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.578 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 5.8 m -153.43 174.29 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.8 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 90' ' ' VAL . 55.9 mt -46.51 -45.12 18.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -56.46 12.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.69 39.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.655 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -98.62 -19.3 17.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.971 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.622 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 79.0 t -84.47 -38.55 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.062 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.6 m -66.14 -51.03 61.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 36.5 t80 -56.96 -30.72 64.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.476 ' HB3' HD11 ' A' ' 105' ' ' LEU . 3.2 m-70 -66.76 -35.37 79.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -62.68 -11.28 16.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -121.54 -28.28 4.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -125.79 111.72 24.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.689 ' HD3' HD21 ' A' ' 104' ' ' LEU . 52.9 Cg_endo -69.73 -168.35 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.635 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -99.31 151.78 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.0 tt0 -41.74 -58.76 2.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.635 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.8 Cg_endo -69.79 -51.01 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.742 2.294 . . . . 0.0 112.308 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' ILE . 71.2 mmt-85 -96.22 117.56 31.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -14.42 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -54.48 144.94 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.689 HD21 ' HD3' ' A' ' 97' ' ' PRO . 14.4 mt -108.94 169.31 8.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 93' ' ' HIS . 10.2 mt -97.12 159.64 14.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.613 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.6 p -123.45 -54.48 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -150.94 152.74 32.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.558 0.694 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 144.39 53.79 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.608 2.205 . . . . 0.0 112.369 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 47.8 t -74.01 162.38 29.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 6.4 mmt180 -120.48 135.9 54.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -51.15 151.39 2.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.795 ' HD2' HD21 ' A' ' 31' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.936 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.606 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.1 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.605 0.717 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.8 172.37 12.8 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -82.13 -40.59 21.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.502 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 61.1 p-90 -57.79 -15.23 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -95.39 89.78 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -86.44 40.03 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.81 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 39.46 -102.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.657 ' HB1' ' NE2' ' A' ' 46' ' ' HIS . . . -131.35 90.13 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.711 0.291 . . . . 0.0 111.072 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.418 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 19.7 pt -99.93 174.29 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.8 p -100.99 139.69 36.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 14.1 ttm180 -34.63 -38.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.02 -52.16 51.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -57.36 -38.01 73.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.74 71.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.1 -36.61 82.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.34 -23.47 57.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mt -76.0 -28.97 58.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.722 HD22 ' O ' ' A' ' 39' ' ' SER . 46.4 mt -95.58 -28.83 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.2 pt-20 -50.44 -47.96 56.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 58.0 m -86.07 21.67 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -123.05 153.24 64.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 149.77 67.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -47.31 131.21 13.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.612 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 110.17 -27.32 11.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.722 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.2 m -52.37 106.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 110.822 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.665 ' HB3' HD22 ' A' ' 105' ' ' LEU . 32.8 p90 -97.18 160.45 14.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.823 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.803 HD22 ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -164.71 164.07 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.803 ' N ' HD22 ' A' ' 41' ' ' LEU . 30.4 mt -134.89 158.0 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.523 ' N ' HG22 ' A' ' 42' ' ' ILE . 6.2 ptm180 -150.86 109.78 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' ARG . 51.5 t -34.73 138.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -86.51 148.57 25.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.657 ' NE2' ' HB1' ' A' ' 22' ' ' ALA . 27.3 m-70 -120.62 -35.71 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.1 p -71.28 -25.83 62.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 4.2 p-80 -147.6 121.51 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.615 ' O ' HG13 ' A' ' 49' ' ' VAL . 9.3 p -41.81 108.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 154.89 -144.31 10.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.504 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 4.2 m-85 -141.89 -175.55 4.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 110.956 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.6 m -148.31 106.55 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.776 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.0 tm? -79.67 130.83 35.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.574 ' N ' HD13 ' A' ' 53' ' ' LEU . 2.9 m -141.42 159.65 41.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.482 ' CD2' HD21 ' A' ' 105' ' ' LEU . 30.0 p90 -173.68 153.4 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -69.1 126.45 29.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.535 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -118.62 143.26 46.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.495 ' N ' HD21 ' A' ' 37' ' ' LEU . 22.7 mm-40 -34.79 -47.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -68.67 -65.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m -174.64 154.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.9 t -42.55 140.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.39 175.61 5.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -150.75 105.12 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.574 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.833 ' CD2' HG21 ' A' ' 98' ' ' ILE . 24.4 m-85 -103.22 123.99 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.8 ptm -76.97 138.8 39.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.0 t -119.63 114.56 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -87.34 163.89 16.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.542 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 3.3 tt -109.98 102.68 11.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.687 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.9 mm? -51.93 -177.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -91.1 -19.68 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -86.69 26.79 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.33 20.98 61.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.4 p -111.35 -175.46 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.542 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 30.7 m-85 -136.43 145.55 45.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.662 ' HB3' HD21 ' A' ' 69' ' ' LEU . 6.9 ttt -156.0 136.39 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.678 HG23 ' HD2' ' A' ' 77' ' ' PRO . 69.6 mt -79.61 138.92 54.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.682 0.753 . . . . 0.0 111.065 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.678 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.83 84.3 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.28 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.66 -18.6 1.13 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -84.49 -178.11 6.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.67 18.65 8.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.483 HG21 ' CE1' ' A' ' 92' ' ' PHE . 3.4 m -146.75 159.54 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.481 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -128.81 -175.45 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.494 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 14.7 m-70 -159.65 156.25 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.845 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.2 p -65.32 -52.82 51.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.6 m -138.9 177.13 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.779 HD12 ' CD1' ' A' ' 42' ' ' ILE . 2.8 mm? -52.69 -49.6 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.51 -57.2 4.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.36 -7.63 48.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.526 HD22 ' CD1' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -100.49 -18.98 16.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 86' ' ' LEU . 76.9 t -87.01 -46.7 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.4 m -54.64 -37.69 65.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.483 ' CE1' HG21 ' A' ' 81' ' ' VAL . 35.8 t80 -73.01 -31.41 64.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -66.91 -30.28 70.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -66.93 -14.21 62.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -116.15 -25.64 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -125.94 116.23 24.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.784 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.4 Cg_endo -69.81 -168.12 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.833 HG21 ' CD2' ' A' ' 64' ' ' PHE . 1.7 mm -98.34 141.24 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.8 tt0 -36.68 -58.68 1.0 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.745 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.1 Cg_endo -69.72 -46.86 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.734 2.289 . . . . 0.0 112.326 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' ILE . 28.2 mmt180 -103.13 114.64 29.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.85 17.75 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -84.78 134.02 34.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.784 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.7 mt -97.51 179.43 4.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' A' ' 40' ' ' PHE . 21.1 mt -107.9 169.75 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.981 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.612 HG23 ' HA3' ' A' ' 38' ' ' GLY . 9.1 p -131.61 -59.33 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.402 ' N ' ' OG1' ' A' ' 106' ' ' THR . 12.1 pt20 -146.46 152.83 46.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.28 50.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 41.1 t -79.74 158.49 26.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -115.95 136.25 53.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.01 155.37 20.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.946 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.416 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 5.7 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.649 0.738 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.536 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.85 179.63 3.61 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.487 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.0 pt-20 -82.74 -41.95 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.827 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.615 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 62.7 p-90 -58.54 -17.13 18.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CE1' ' HA2' ' A' ' 21' ' ' GLY . 44.0 t80 -95.15 95.73 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.465 ' O ' HG23 ' A' ' 23' ' ' ILE . 12.6 m-70 -89.95 37.71 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.539 ' HA2' ' CE1' ' A' ' 19' ' ' PHE . . . 46.03 -112.97 0.92 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.29 97.65 5.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.727 0.298 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 20' ' ' HIS . 31.0 pt -105.61 173.22 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.162 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.405 ' CB ' ' OE2' ' A' ' 26' ' ' GLU . 2.0 m -97.98 160.97 13.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -54.0 -44.61 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 8.6 pm0 -67.04 -30.31 70.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' N ' ' HG2' ' A' ' 26' ' ' GLU . 94.0 m-20 -67.91 -65.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -37.69 -50.3 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -60.57 -40.71 92.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' ASP . 16.5 m-20 -72.96 -24.68 60.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.24 -27.96 59.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.993 HD21 HD12 ' A' ' 41' ' ' LEU . 44.7 mt -97.1 -29.15 13.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.7 pt-20 -50.43 -48.65 56.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.2 t -85.61 24.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -126.8 153.88 75.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 149.29 66.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.656 2.238 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.604 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -46.66 135.03 9.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 106.81 -30.63 9.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 m -46.86 121.0 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.99 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.0 p90 -111.94 161.02 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.993 HD12 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -165.64 150.89 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.723 HD13 HD12 ' A' ' 86' ' ' LEU . 21.3 mt -121.09 141.83 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.426 ' CB ' HG12 ' A' ' 23' ' ' ILE . 19.2 ptt85 -135.08 115.89 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' ARG . 72.8 t -37.49 119.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.7 t -72.76 148.25 44.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -117.42 -41.42 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.0 m -56.25 -64.57 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -108.61 143.85 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.635 ' O ' HG13 ' A' ' 49' ' ' VAL . 13.6 p -57.37 109.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.92 -151.95 23.95 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -127.06 168.02 15.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.6 m -132.62 106.55 7.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -83.52 145.74 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.8 m -150.66 161.74 42.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE2' ' CE1' ' A' ' 64' ' ' PHE . 6.4 p90 -174.4 147.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -64.0 129.06 38.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.517 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -119.85 141.96 49.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.449 ' N ' HD21 ' A' ' 37' ' ' LEU . 19.0 mt-30 -34.26 -44.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 t -73.66 -63.14 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -173.08 163.85 4.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.808 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.5 t -43.08 142.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.8 m -119.2 154.84 32.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -135.81 106.28 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.383 1.052 . . . . 0.0 109.572 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE2' HG13 ' A' ' 98' ' ' ILE . 38.5 m-85 -102.32 139.19 38.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.4 ptm -91.75 134.33 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.7 t -115.67 99.57 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -69.39 160.38 31.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.7 tm? -114.24 115.23 27.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.577 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.1 mm? -75.99 156.33 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.87 -7.78 43.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -91.9 13.03 19.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.99 19.75 78.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.559 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.422 ' O ' HD22 ' A' ' 68' ' ' LEU . 76.5 p -109.76 177.23 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.777 0.322 . . . . 0.0 111.183 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.481 ' CD1' HD23 ' A' ' 68' ' ' LEU . 8.7 m-85 -136.44 126.85 26.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.482 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.7 tpt -138.25 144.68 40.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 77' ' ' PRO . 41.2 mt -94.7 138.53 22.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.4 Cg_endo -69.74 79.91 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 167.62 -36.79 0.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.25 -175.38 2.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -123.79 7.8 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.28 147.64 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.71 -175.42 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 30.9 m-70 -151.13 155.96 40.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 56.1 p -72.89 -37.85 67.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.5 m -153.82 159.81 41.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.723 HD12 HD13 ' A' ' 42' ' ' ILE . 3.2 mm? -39.71 -52.07 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -44.74 -55.14 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.66 -11.42 60.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.573 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.72 -20.29 18.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.614 HG11 ' CE1' ' A' ' 40' ' ' PHE . 99.3 t -85.53 -49.8 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.3 m -54.48 -47.19 73.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -61.69 -41.34 97.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.9 m-70 -58.96 -42.19 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -47.8 -20.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -111.1 -28.07 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.89 117.36 29.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.514 0.673 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.3 Cg_endo -69.77 -174.32 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.785 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.2 mm -95.04 141.05 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.083 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.0 OUTLIER -36.3 -58.37 0.98 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.672 0.749 . . . . 0.0 110.902 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.2 Cg_endo -69.77 -49.94 0.51 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.599 2.2 . . . . 0.0 112.373 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -100.49 114.89 28.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -5.63 50.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -62.63 138.65 58.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.483 HD21 ' HD3' ' A' ' 97' ' ' PRO . 11.3 mt -104.67 168.47 9.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.99 HD22 ' HB3' ' A' ' 40' ' ' PHE . 35.5 mt -93.72 163.93 13.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.561 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.9 p -130.83 -57.78 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.409 ' N ' ' OG1' ' A' ' 106' ' ' THR . 10.1 pt20 -149.04 151.64 34.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.429 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.1 Cg_endo -69.71 143.45 51.13 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.748 2.299 . . . . 0.0 112.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 9.0 t -76.89 167.98 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.487 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 8.5 mmt180 -124.8 137.61 54.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -51.65 169.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.92 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' HD2' ' A' ' 16' ' ' PRO . 14.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.596 0.712 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.514 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.3 Cg_endo -69.82 178.46 4.59 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.626 2.217 . . . . 0.0 112.374 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -90.49 -27.58 19.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.482 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 61.2 p-90 -73.11 -5.27 38.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 81.6 t80 -102.4 102.58 12.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.489 ' HE1' HD22 ' A' ' 31' ' ' LEU . 29.0 m-70 -96.11 39.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.49 ' HA2' ' CE2' ' A' ' 19' ' ' PHE . . . 40.25 -104.71 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.09 94.83 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.405 HG12 ' CB ' ' A' ' 43' ' ' ARG . 19.0 pt -103.65 175.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' GLU . 18.8 m -99.53 145.6 27.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' NH1' ' OE2' ' A' ' 29' ' ' GLU . 3.0 tmm_? -39.63 -29.27 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' SER . 8.9 mt-10 -79.22 -49.93 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -51.47 -45.15 62.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.4 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -57.61 -54.16 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 25' ' ' ARG . 18.8 mt-10 -60.6 -38.75 85.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -73.99 -25.34 59.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.489 HD22 ' HE1' ' A' ' 20' ' ' HIS . 5.1 mt -74.27 -27.35 60.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.64 HD11 ' CD1' ' A' ' 41' ' ' LEU . 25.3 mt -97.8 -28.47 13.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 34' ' ' SER . 8.1 pt-20 -51.98 -44.93 64.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 17.8 m -88.19 18.19 4.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -117.36 156.53 48.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 149.76 66.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -49.67 130.26 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.625 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 108.51 -23.3 24.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.49 ' O ' HD22 ' A' ' 32' ' ' LEU . 22.2 m -56.13 119.41 5.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.766 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.4 p90 -108.21 168.33 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.737 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -170.59 162.35 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.694 ' N ' HD22 ' A' ' 41' ' ' LEU . 11.4 mt -132.57 147.31 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 44' ' ' VAL . 18.4 ptt85 -139.82 115.48 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' ARG . 53.0 t -33.94 139.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 t -124.86 130.34 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -95.05 -16.73 22.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 t -52.0 -62.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 50' ' ' GLY . 17.5 p-80 -114.15 43.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.4 p 34.39 32.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.234 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.602 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -123.1 -127.39 3.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 21.5 m-85 -152.61 162.64 40.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.8 m -124.61 110.8 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 tp -90.56 129.13 36.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.1 m -138.49 161.5 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.464 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 14.0 p90 -169.59 145.76 3.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -63.14 127.57 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -121.3 145.2 48.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 57' ' ' ALA . 20.8 mp0 -35.02 -43.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 t -74.62 -72.25 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -164.94 158.34 17.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.1 t -43.88 137.73 3.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.2 m -111.67 163.87 13.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -143.24 108.54 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.616 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.583 ' CD1' HG21 ' A' ' 98' ' ' ILE . 36.9 m-85 -110.6 135.57 51.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.6 ptm -91.39 141.04 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.7 t -123.8 108.08 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -75.55 169.56 17.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.564 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.7 tt -115.17 84.92 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.648 ' N ' HD23 ' A' ' 69' ' ' LEU . 2.0 mt -39.8 144.62 0.18 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.86 -15.94 60.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -86.05 24.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.74 23.43 67.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.574 ' OG1' HD12 ' A' ' 69' ' ' LEU . 75.4 p -121.93 168.19 12.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.087 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 7.0 m-85 -124.1 136.87 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.504 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.1 ttt -149.93 134.86 17.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.5 mt -77.29 132.08 70.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.651 0.738 . . . . 0.0 111.179 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 83.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.318 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.0 -17.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 99' ' ' GLU . 32.5 mm-40 -99.37 -175.97 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.977 0.418 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -121.54 20.44 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.22 157.01 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' A' ' 83' ' ' HIS . . . -129.38 -177.4 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.514 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 6.5 m80 -155.05 150.51 27.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.2 p -58.6 -48.54 80.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.171 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.572 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 37.4 m -148.83 162.56 39.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.984 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.1 mp -39.17 -44.91 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -50.08 -61.29 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.67 -7.35 26.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.514 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.38 -22.93 16.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.954 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.984 HG23 ' O ' ' A' ' 86' ' ' LEU . 16.4 t -80.0 -46.65 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.0 m -60.49 -40.75 92.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -68.97 -26.06 64.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -73.0 -37.69 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -58.06 -19.23 30.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -110.43 -25.0 10.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -124.58 116.91 26.5 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -175.6 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.623 2.215 . . . . 0.0 112.332 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.729 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -93.13 142.6 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.3 tt0 -36.75 -58.51 1.04 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.729 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.82 -48.73 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.313 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -99.47 114.44 27.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -3.99 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.56 144.64 55.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 mt -107.16 175.19 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.766 HD22 ' HB3' ' A' ' 40' ' ' PHE . 13.2 mt -99.84 164.59 11.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.625 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.7 p -124.06 -55.12 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -153.17 152.5 27.98 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.625 0.726 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.59 54.5 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.9 t -76.84 166.28 23.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -122.12 131.7 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -54.51 172.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.409 ' HG3' HD21 ' A' ' 31' ' ' LEU . 44.9 mttm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.545 HG23 ' HD2' ' A' ' 16' ' ' PRO . 12.6 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.696 0.76 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.545 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.4 Cg_endo -69.87 176.34 6.99 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.62 2.213 . . . . 0.0 112.345 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' OE2' ' NE ' ' A' ' 110' ' ' ARG . 5.5 pt-20 -88.22 -34.13 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.424 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 56.3 p-90 -69.37 -5.26 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -103.31 94.01 5.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -89.31 34.9 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 46.54 -110.81 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.468 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.37 99.04 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.446 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 12.8 pt -108.74 169.75 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.9 m -96.59 165.12 12.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -43.02 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.67 -37.69 82.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -49.91 69.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.27 -48.92 73.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -66.72 -39.73 88.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -72.22 -23.71 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.13 -28.57 57.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.795 HD21 HD12 ' A' ' 41' ' ' LEU . 33.5 mt -97.18 -27.53 14.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.595 ' HA ' ' HZ3' ' A' ' 56' ' ' LYS . 5.7 pt-20 -51.6 -49.71 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.4 t -85.38 25.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -124.77 154.72 70.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 149.61 66.71 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.688 2.259 . . . . 0.0 112.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -48.94 130.81 18.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.566 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 109.48 -22.41 24.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.502 ' O ' HD22 ' A' ' 32' ' ' LEU . 19.4 m -57.47 120.15 7.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.384 . . . . 0.0 110.851 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.752 ' HB3' HD22 ' A' ' 105' ' ' LEU . 44.6 p90 -111.87 164.42 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.835 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -167.14 155.43 9.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.653 HG21 ' CD2' ' A' ' 86' ' ' LEU . 57.7 mt -125.58 142.95 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 15.6 ptt85 -132.73 114.44 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' ARG . 94.4 t -35.3 130.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -113.92 91.62 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -65.61 -25.12 67.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.776 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -46.62 -67.01 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 49' ' ' VAL . 2.1 p-80 -101.78 43.65 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.2 p 32.56 37.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -134.95 -131.9 3.11 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.617 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 12.9 m-85 -151.89 169.43 22.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.014 0.435 . . . . 0.0 110.976 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.1 m -134.86 122.87 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.7 tp -96.65 133.97 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 m -144.27 161.24 39.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.45 ' HB3' ' CB ' ' A' ' 40' ' ' PHE . 48.5 p90 -170.63 150.9 3.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.595 ' HZ3' ' HA ' ' A' ' 33' ' ' GLU . 17.1 tptt -64.75 129.18 38.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -120.16 146.74 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' ALA . 16.4 mm-40 -35.24 -49.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -70.43 -65.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 11.2 t -167.13 173.91 8.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 79.3 m -55.56 133.91 50.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.5 m -109.25 161.51 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -141.03 122.58 15.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.617 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.454 ' CD1' HG21 ' A' ' 98' ' ' ILE . 58.3 m-85 -127.47 106.7 9.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -65.63 148.48 51.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.622 HG22 HG12 ' A' ' 76' ' ' ILE . 96.3 t -127.85 114.43 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -81.16 159.15 24.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.567 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 2.2 tt -103.47 95.27 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.9 mm? -45.35 165.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -76.07 -20.35 57.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 71' ' ' ASP . 14.4 t0 -84.77 21.1 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.93 9.34 59.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.527 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.1 p -99.4 -177.36 3.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 111.15 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 55.1 m-85 -132.22 145.97 51.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.709 ' HB3' HD21 ' A' ' 69' ' ' LEU . 7.1 ttt -155.16 146.49 22.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.659 HG23 ' HD2' ' A' ' 77' ' ' PRO . 80.1 mt -93.46 138.43 23.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.556 0.694 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.3 Cg_endo -69.74 79.96 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.06 -19.92 0.49 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -88.74 179.68 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.64 17.17 10.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.16 161.14 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -135.45 179.15 6.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.52 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 13.1 m80 -150.24 162.76 39.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.5 p -72.29 -53.45 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -136.53 154.6 50.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.653 ' CD2' HG21 ' A' ' 42' ' ' ILE . 7.0 mp -38.0 -45.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -49.13 -58.29 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.64 -7.39 38.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.57 -25.29 15.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 86' ' ' LEU . 80.5 t -79.49 -51.14 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 96.1 m -55.04 -47.87 74.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.446 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 38.6 t80 -60.71 -37.79 82.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 3.9 m-70 -58.55 -48.77 79.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -43.0 -24.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 93' ' ' HIS . 47.6 mt-30 -108.21 -22.46 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 3.9 mmmt -127.08 108.43 21.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.563 ' HD3' HD21 ' A' ' 104' ' ' LEU . 54.8 Cg_endo -69.67 -167.8 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.41 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.786 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.3 mm -92.94 144.56 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.1 tt0 -39.26 -58.52 1.83 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.656 0.741 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.786 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.67 -49.73 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -98.52 115.75 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -16.64 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.5 126.59 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.563 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.9 mt -93.84 173.36 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 40' ' ' PHE . 25.3 mt -91.5 172.68 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.515 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.8 p -131.72 -58.57 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.427 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.9 pt20 -150.3 150.52 29.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 143.89 51.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 17.2 t -80.45 164.73 22.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.456 ' NE ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 mmt85 -120.22 139.42 52.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -55.8 161.94 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.835 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.497 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.1 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.682 0.753 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.595 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.7 Cg_endo -69.71 176.77 6.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -82.52 -39.66 22.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.616 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 62.9 p-90 -60.38 -19.52 56.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -93.28 88.0 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.761 ' O ' HG23 ' A' ' 23' ' ' ILE . 13.9 m-70 -85.54 36.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.08 -148.11 6.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.538 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.15 81.08 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 111.055 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.761 HG23 ' O ' ' A' ' 20' ' ' HIS . 28.2 pt -87.78 171.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -90.55 171.75 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -60.64 -40.62 92.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.14 -38.08 69.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.52 -53.95 52.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' CA ' HD12 ' A' ' 23' ' ' ILE . . . -55.85 -48.72 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -64.3 -39.36 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -72.79 -29.34 63.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.49 HD22 ' CE1' ' A' ' 20' ' ' HIS . 5.5 mt -70.39 -29.83 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.831 HD21 HD12 ' A' ' 41' ' ' LEU . 71.1 mt -93.52 -34.77 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 34' ' ' SER . 4.6 pt-20 -46.64 -47.31 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.496 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.1 t -88.16 27.21 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -126.7 156.0 74.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 149.18 66.63 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.65 2.234 . . . . 0.0 112.393 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.649 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -48.82 132.03 18.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.649 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 108.95 -29.22 9.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -47.85 115.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.918 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.694 ' CE1' HG11 ' A' ' 90' ' ' VAL . 19.9 p90 -109.68 149.99 28.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.843 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -156.92 158.71 37.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.616 HD12 ' CZ3' ' A' ' 18' ' ' TRP . 88.1 mt -124.44 155.0 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.46 ' N ' HG22 ' A' ' 42' ' ' ILE . 23.6 ptt85 -147.42 127.22 13.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -51.79 128.92 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -76.03 165.7 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -126.32 -55.71 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.6 t -49.73 -51.96 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -122.21 132.13 54.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.59 125.48 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.84 -144.84 13.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -139.15 175.2 9.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.958 0.409 . . . . 0.0 110.956 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.5 m -141.16 107.07 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.108 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.8 tp -82.91 146.18 28.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.9 m -153.66 165.89 34.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -175.23 145.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -64.49 121.5 14.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -114.77 144.09 44.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ALA . 32.3 mm-40 -35.06 -41.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.94 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -74.78 -68.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.2 m -169.86 166.6 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 88.7 m -51.72 131.75 30.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.7 m -110.17 151.15 27.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -132.57 113.92 13.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.635 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.922 ' CD2' HG21 ' A' ' 98' ' ' ILE . 11.4 m-85 -111.87 129.57 56.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.4 ptm -84.99 140.89 30.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.9 t -123.69 118.14 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -89.02 164.1 15.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -104.05 113.5 27.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 75' ' ' MET . 3.0 mm? -70.11 166.29 20.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.76 -23.68 60.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 73' ' ' THR . 4.2 m-20 -84.36 27.59 0.69 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.15 28.83 59.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 71' ' ' ASP . 72.2 p -116.88 -177.32 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 111.134 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -136.02 138.01 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.587 ' HB3' HD21 ' A' ' 69' ' ' LEU . 6.6 ttt -146.67 141.65 27.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 77' ' ' PRO . 54.7 mt -83.98 137.12 40.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.68 0.752 . . . . 0.0 111.075 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.74 85.15 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.731 2.287 . . . . 0.0 112.337 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.72 -22.1 1.03 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -83.61 -175.72 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -126.87 17.45 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 m -145.0 162.22 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.56 -178.35 5.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.451 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 20.0 m80 -153.85 161.91 41.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.3 p -71.22 -52.09 20.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 86' ' ' LEU . 4.1 m -140.72 155.95 46.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.788 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.9 mm? -35.88 -47.04 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -47.28 -61.98 1.64 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.48 -10.93 38.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.54 -20.91 18.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 86' ' ' LEU . 74.9 t -80.17 -42.33 21.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.9 m -60.43 -52.95 63.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.465 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 32.2 t80 -55.85 -37.41 68.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 6.2 m-70 -59.12 -40.75 86.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -57.43 -15.58 7.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -112.58 -30.09 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 11.1 mmmt -122.15 118.52 29.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.524 0.678 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.604 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.8 Cg_endo -69.77 -175.89 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.249 . . . . 0.0 112.314 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.922 HG21 ' CD2' ' A' ' 64' ' ' PHE . 3.2 mm -92.68 137.23 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.0 OUTLIER -34.15 -58.4 0.61 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.872 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.77 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.294 . . . . 0.0 112.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -96.49 114.17 25.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 102' ' ' ARG . 5.2 ppt_? -85.05 36.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -109.15 136.58 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.604 HD21 ' HD3' ' A' ' 97' ' ' PRO . 15.6 mt -94.45 169.59 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 40' ' ' PHE . 28.3 mt -95.37 173.65 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.476 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 11.2 p -133.69 -62.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.435 ' N ' ' OG1' ' A' ' 106' ' ' THR . 20.6 pt20 -147.75 152.67 41.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.72 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.445 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.1 Cg_endo -69.73 142.26 47.58 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.724 2.282 . . . . 0.0 112.283 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 44.4 t -74.53 162.49 28.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 108' ' ' PRO . 11.2 mmt-85 -118.04 131.15 56.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -58.86 147.9 32.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.659 0.742 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -172.97 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.721 2.28 . . . . 0.0 112.342 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -95.53 -39.29 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.643 ' CE3' HD12 ' A' ' 42' ' ' ILE . 66.6 p-90 -62.44 -9.11 7.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -100.17 89.87 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.466 ' O ' HG23 ' A' ' 23' ' ' ILE . 32.6 m-70 -88.5 33.92 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.81 -128.25 15.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.54 97.38 7.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 111.171 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.64 ' CD1' ' HB2' ' A' ' 28' ' ' ALA . 12.3 pt -113.94 170.53 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ARG . 6.5 t -100.98 147.31 26.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' SER . 26.5 ttp180 -37.2 -49.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 12.1 pt-20 -54.21 -48.23 71.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 6.5 m-20 -59.62 -61.51 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -48.02 -46.83 33.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -64.33 -36.91 85.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -72.32 -28.84 63.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' CD2' ' HG2' ' A' ' 112' ' ' LYS . 3.9 mt -72.13 -30.41 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.772 HD11 HD12 ' A' ' 41' ' ' LEU . 53.5 mt -91.09 -25.23 19.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 34' ' ' SER . 4.5 pt-20 -55.24 -38.49 68.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' A' ' 33' ' ' GLU . 3.2 m -97.34 21.27 10.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -119.33 156.39 52.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.57 0.7 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.0 69.3 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -52.4 128.17 24.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.528 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 111.0 -19.42 25.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.426 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.3 m -59.51 116.35 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 0.0 110.78 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.968 ' HB3' HD22 ' A' ' 105' ' ' LEU . 24.7 p90 -106.55 158.23 17.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.941 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.84 146.45 9.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.643 HD12 ' CE3' ' A' ' 18' ' ' TRP . 78.5 mt -116.73 149.68 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' CB ' ' CG1' ' A' ' 23' ' ' ILE . 16.6 ptt85 -140.95 114.18 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.792 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' ARG . 43.4 t -34.9 128.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -87.06 150.69 23.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -120.76 -43.26 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.7 p -48.38 -51.53 26.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -127.67 153.03 46.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 49' ' ' VAL . 11.9 p -61.49 114.58 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.52 -151.14 23.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.473 ' CD2' HD11 ' A' ' 86' ' ' LEU . 43.0 m-85 -135.71 169.63 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.01 0.433 . . . . 0.0 110.839 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.1 m -129.76 115.47 17.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.212 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.53 141.41 28.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.7 m -149.4 164.92 33.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.596 ' CD2' HD21 ' A' ' 105' ' ' LEU . 17.8 p90 -175.08 148.41 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -65.84 129.61 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.441 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -122.15 149.15 44.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -39.58 -40.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.4 m -77.64 -69.21 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.8 p -167.12 166.11 15.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.9 p -47.48 133.08 13.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 29.9 m -109.49 148.87 30.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -132.1 122.86 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.602 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.685 ' CD2' HG21 ' A' ' 98' ' ' ILE . 16.6 m-85 -124.89 132.66 53.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.814 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.7 ptm -88.15 141.81 28.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.442 HG22 HG12 ' A' ' 76' ' ' ILE . 48.1 t -121.16 111.6 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -78.6 162.67 26.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 tt -110.34 97.72 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.8 mm? -52.31 175.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.89 -23.32 33.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -85.25 28.39 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.93 29.72 62.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.0 p -116.27 179.74 3.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 0.0 111.159 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.431 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 16.2 m-85 -135.48 137.79 42.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.672 ' HB3' HD21 ' A' ' 69' ' ' LEU . 3.2 ttt -150.01 126.24 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 77' ' ' PRO . 57.1 mt -71.08 138.4 84.77 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.64 0.733 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.9 Cg_endo -69.73 94.92 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.722 2.281 . . . . 0.0 112.386 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.4 -23.09 1.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.538 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -90.03 179.07 6.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 2.7 mppt? -120.78 21.12 11.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 m -143.3 169.98 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.77 177.85 8.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -147.66 161.89 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.9 p -67.84 -54.22 20.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.406 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 2.9 m -143.72 159.45 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.959 ' O ' HG23 ' A' ' 90' ' ' VAL . 32.4 mt -37.84 -46.49 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.17 -56.41 9.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.36 -9.72 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.547 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.36 -18.58 19.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.931 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 86' ' ' LEU . 42.2 t -82.76 -28.58 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.0 m -75.27 -48.08 24.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -62.69 -29.57 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.408 ' O ' ' CD2' ' A' ' 104' ' ' LEU . 3.4 m-70 -69.15 -36.4 77.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.49 -12.0 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -115.84 -32.19 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -119.25 118.46 32.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.525 0.679 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.12 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.382 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.858 HG22 ' HD2' ' A' ' 100' ' ' PRO . 3.1 mm -95.24 141.58 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -35.53 -58.31 0.83 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.651 0.738 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.858 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.7 Cg_endo -69.82 -50.24 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.252 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -99.71 115.69 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -8.0 57.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.32 142.84 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.408 ' CD2' ' O ' ' A' ' 93' ' ' HIS . 13.6 mt -105.2 -175.24 2.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.968 HD22 ' HB3' ' A' ' 40' ' ' PHE . 45.3 mt -107.22 171.28 7.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.528 HG23 ' HA3' ' A' ' 38' ' ' GLY . 6.8 p -134.56 -57.7 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -149.84 151.92 33.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.733 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 142.85 49.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.616 2.21 . . . . 0.0 112.349 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.7 155.37 33.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -115.49 135.48 54.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HG3' ' ND1' ' A' ' 20' ' ' HIS . 18.5 mp0 -53.04 168.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.43 ' HG2' ' CD2' ' A' ' 31' ' ' LEU . 29.6 mmtt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.598 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.9 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.638 0.732 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.3 Cg_endo -69.71 178.49 4.49 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -89.14 -40.22 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.434 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 59.0 p-90 -57.23 -12.79 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -94.72 82.55 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.567 ' O ' HG23 ' A' ' 23' ' ' ILE . 15.6 m-70 -82.3 42.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 38.91 -146.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.0 96.06 10.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.694 0.283 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 20' ' ' HIS . 12.5 pt -105.12 170.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ASP . 2.2 t -96.67 141.95 29.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 24' ' ' SER . 7.4 ttm-85 -35.52 -38.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.27 -45.94 75.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 6.6 m-20 -57.74 -54.67 44.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.93 -59.23 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.86 -43.7 81.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -68.36 -21.52 64.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.409 HD21 ' H ' ' A' ' 112' ' ' LYS . 6.3 mt -79.21 -33.35 43.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.716 HD21 HD12 ' A' ' 41' ' ' LEU . 15.2 mt -92.02 -26.31 18.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.526 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.1 pt-20 -50.9 -49.43 59.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.526 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 3.6 m -86.79 21.61 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -119.05 155.39 53.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.563 0.696 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 151.24 69.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -51.48 127.57 20.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.581 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 112.55 -22.19 17.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.585 ' O ' HD22 ' A' ' 32' ' ' LEU . 10.9 m -57.32 115.54 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.911 ' HB3' HD22 ' A' ' 105' ' ' LEU . 39.6 p90 -107.5 163.63 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.806 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -168.93 154.99 6.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.583 ' N ' HD22 ' A' ' 41' ' ' LEU . 63.9 mt -127.45 143.08 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.455 ' CB ' HG12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -137.1 140.0 41.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 44' ' ' VAL . 3.9 t -55.05 125.05 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -82.96 166.35 18.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -127.28 -31.07 2.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -63.46 -61.57 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -107.01 159.06 16.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.6 t -77.73 104.98 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.517 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 156.25 -125.93 1.71 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 26.2 m-85 -149.67 -175.65 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.009 0.433 . . . . 0.0 110.875 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 64' ' ' PHE . 96.4 m -151.0 129.88 12.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.105 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -101.51 145.1 29.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.511 ' O ' HD13 ' A' ' 41' ' ' LEU . 67.4 m -152.45 149.74 28.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.636 ' CD2' HD21 ' A' ' 105' ' ' LEU . 17.1 p90 -159.72 152.23 21.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -64.8 128.67 36.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -119.33 141.44 49.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.456 ' N ' HD21 ' A' ' 37' ' ' LEU . 20.2 mt-30 -35.88 -38.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -80.92 -62.57 1.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 19.4 p -171.8 161.02 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.837 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.0 m -45.54 141.55 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.8 p -117.26 157.25 26.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.45 ' HD1' ' HG ' ' A' ' 54' ' ' SER . 98.8 m-70 -137.15 124.74 22.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.596 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 52' ' ' THR . 23.3 m-85 -124.25 127.34 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.7 ptm -84.39 135.67 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.92 105.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.071 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -80.91 157.95 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.28 96.63 6.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.945 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.662 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.0 OUTLIER -49.48 177.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.48 -22.81 28.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -77.72 3.31 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.87 12.75 76.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.382 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.0 p -106.25 172.39 6.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.123 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.523 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 5.7 m-85 -123.46 130.52 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.662 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.4 ttt -139.26 134.29 32.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.656 HG23 ' HD2' ' A' ' 77' ' ' PRO . 81.7 mt -83.93 138.74 40.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.2 Cg_endo -69.75 80.97 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.25 -16.03 0.42 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' C ' ' HD3' ' A' ' 80' ' ' LYS . 22.2 mm-40 -94.9 158.92 15.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.986 0.422 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 20.8 mmtt -100.16 19.01 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.53 159.07 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.451 ' HB2' ' HB2' ' A' ' 75' ' ' MET . . . -125.4 -175.06 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 7.2 m80 -151.69 150.6 30.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 p -56.62 -42.79 79.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.523 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 59.9 m -156.36 173.17 17.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.816 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.8 mp -48.49 -47.41 38.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -49.24 -56.43 9.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.25 43.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.574 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -100.03 -14.61 18.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 86' ' ' LEU . 57.6 t -87.69 -40.29 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.5 m -65.07 -38.89 92.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -71.88 -29.56 64.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -72.54 -27.32 62.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.69 -19.23 65.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -111.38 -27.73 8.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -122.86 119.1 28.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -176.0 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.26 . . . . 0.0 112.311 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.811 HG22 ' HD2' ' A' ' 100' ' ' PRO . 3.0 mm -94.95 146.14 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.534 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.2 tt0 -39.84 -58.4 2.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.811 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.3 Cg_endo -69.8 -50.63 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' ILE . 16.9 mmt180 -97.79 116.93 30.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.66 12.48 8.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.24 137.68 33.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 104' ' ' LEU . 11.3 mt -99.05 167.66 10.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.911 HD22 ' HB3' ' A' ' 40' ' ' PHE . 47.6 mt -95.39 164.82 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.581 HG23 ' HA3' ' A' ' 38' ' ' GLY . 3.6 p -129.25 -55.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -151.85 152.05 29.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 142.96 49.27 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 20.5 t -78.89 162.66 25.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -117.53 135.68 53.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 112' ' ' LYS . 4.4 pt20 -61.68 137.98 58.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 111' ' ' GLN . 12.5 mtpt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 121.671 0.748 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -173.56 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.375 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -92.77 -27.2 17.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.546 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 59.1 p-90 -78.07 -4.21 46.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -109.02 88.92 2.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.415 ' CD2' HD13 ' A' ' 31' ' ' LEU . 31.1 m80 -82.88 40.19 0.67 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.525 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 40.05 -100.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.92 97.99 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.435 HD11 ' HB3' ' A' ' 43' ' ' ARG . 10.0 pt -106.94 -177.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' ASP . 19.6 m -109.65 141.62 41.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' SER . 3.3 tmm_? -35.81 -34.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' SER . 13.0 pt-20 -70.49 -47.26 61.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -58.74 -51.71 68.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.58 -56.7 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -56.22 -42.07 76.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -71.16 -25.61 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.52 HD21 ' HG3' ' A' ' 112' ' ' LYS . 5.8 mt -73.77 -28.31 61.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.665 HD21 HD12 ' A' ' 41' ' ' LEU . 22.3 mt -97.2 -30.33 13.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.8 pt-20 -50.77 -47.83 59.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.4 t -87.57 25.54 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -124.93 154.3 71.03 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 149.47 66.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -48.64 129.2 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.536 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 112.08 -24.53 14.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.421 ' O ' HD22 ' A' ' 32' ' ' LEU . 49.9 m -55.04 117.83 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.974 0.416 . . . . 0.0 110.856 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.92 ' HB3' HD22 ' A' ' 105' ' ' LEU . 25.0 p90 -109.32 156.8 19.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.852 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -164.11 149.62 10.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.67 ' N ' HD22 ' A' ' 41' ' ' LEU . 66.3 mt -120.84 151.94 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.435 ' HB3' HD11 ' A' ' 23' ' ' ILE . 19.2 ptt85 -142.79 121.32 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 21' ' ' GLY . 52.9 t -40.42 126.26 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -80.92 158.61 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -127.83 -41.41 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 98.8 p -57.8 -50.8 72.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 65' ' ' MET . 6.8 p-80 -124.21 128.33 49.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -43.87 130.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 130.33 -138.76 10.43 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 1.031 ' CD2' HD11 ' A' ' 86' ' ' LEU . 15.0 m-85 -143.19 170.63 15.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.015 0.436 . . . . 0.0 110.924 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.0 m -133.2 121.08 22.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.66 142.34 27.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 m -154.62 153.55 31.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.426 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 52.8 p90 -162.92 167.91 21.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -81.71 126.82 32.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.461 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -121.39 144.87 48.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.473 ' N ' HD21 ' A' ' 37' ' ' LEU . 13.3 mm-40 -34.12 -49.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.8 t -65.16 -66.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m -174.99 167.74 3.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.5 m -49.44 132.22 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 t -117.81 167.48 11.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -141.74 148.85 39.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.524 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CD2' HG21 ' A' ' 98' ' ' ILE . 37.6 m-85 -143.64 130.93 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.574 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 23.1 ptm -86.07 139.88 30.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 98.6 t -124.41 107.71 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -78.0 172.28 13.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.579 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 tt -115.63 101.9 9.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.9 mm? -51.55 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.29 -24.99 20.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -80.94 10.51 4.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.67 17.39 77.57 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.567 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 65.9 p -104.08 -178.02 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.841 0.353 . . . . 0.0 111.126 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 27.6 m-85 -135.59 122.28 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' MET . . . . . 0.664 ' HB3' HD21 ' A' ' 69' ' ' LEU . 5.5 ttt -131.79 138.16 48.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 77' ' ' PRO . 51.3 mt -84.83 138.44 37.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 111.083 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.9 Cg_endo -69.68 81.88 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.386 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.07 -25.37 0.61 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.496 ' O ' ' CE ' ' A' ' 75' ' ' MET . 13.5 mm-40 -87.55 158.48 18.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.884 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' HD2' ' C ' ' A' ' 79' ' ' GLU . 12.1 mmmt -102.24 28.65 5.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.61 160.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 83' ' ' HIS . . . -132.13 -175.82 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 5.3 m80 -153.03 154.57 35.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.0 p -62.39 -54.19 43.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 6.0 m -145.24 162.62 36.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 1.031 HD11 ' CD2' ' A' ' 51' ' ' TYR . 85.5 mt -35.75 -51.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -58.69 3.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.08 -7.83 39.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.59 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.63 -21.63 17.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.485 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 69.7 t -82.34 -49.26 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.8 m -56.77 -51.71 67.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -56.6 -38.96 72.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.0 m-70 -60.44 -44.02 96.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -50.32 -21.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -110.73 -24.58 10.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -125.0 112.8 26.74 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.639 0.733 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.617 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.7 Cg_endo -69.79 -175.88 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.694 HG22 ' HD2' ' A' ' 100' ' ' PRO . 1.6 mm -83.3 158.86 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.524 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -53.42 -58.57 12.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 110.84 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.694 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.72 -51.1 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER -75.95 166.39 23.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.86 -21.26 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -67.82 143.89 55.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.617 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.4 mt -104.63 -176.7 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.92 HD22 ' HB3' ' A' ' 40' ' ' PHE . 50.6 mt -98.82 168.55 10.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.511 HG23 ' HA3' ' A' ' 38' ' ' GLY . 9.0 p -132.9 -60.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLN . . . . . 0.424 ' N ' ' OG1' ' A' ' 106' ' ' THR . 13.2 pt20 -146.62 149.62 37.45 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.604 0.716 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.439 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.2 Cg_endo -69.7 143.17 50.25 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.2 t -79.21 163.14 25.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 108' ' ' PRO . 11.2 mmt-85 -114.82 136.77 52.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -66.69 153.61 42.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.52 ' HG3' HD21 ' A' ' 31' ' ' LEU . 30.1 mtmt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -113.78 42.01 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.9 p -80.74 144.78 31.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.74 158.54 48.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 m -145.83 158.94 43.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.813 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -96.31 -45.83 6.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.78 132.66 2.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.427 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.72 166.61 32.03 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.41 96.89 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.8 tp -104.67 117.87 35.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.67 149.14 41.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.406 ' CD ' ' O ' ' A' ' 12' ' ' GLN . 2.3 pp0? -109.43 42.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -145.82 166.36 26.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.48 45.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.519 HG23 ' HD2' ' A' ' 16' ' ' PRO . 14.8 p -143.04 136.89 14.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.644 0.735 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.519 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.0 Cg_endo -69.72 174.43 9.48 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.419 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.63 -40.67 14.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -60.38 -12.59 9.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -96.94 92.96 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 22' ' ' ALA . 19.5 m-70 -90.04 39.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.647 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 40.17 -97.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -134.31 105.47 6.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.75 0.31 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 28' ' ' ALA . 51.0 pt -115.12 172.74 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 27' ' ' ASP . 70.0 m -97.12 142.38 29.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' SER . 5.1 ttm180 -34.61 -39.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -71.83 -47.09 55.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' SER . 6.0 m-20 -48.72 -50.56 33.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.592 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -56.79 -62.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -50.18 -32.08 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -79.83 -26.29 40.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD21 ' HG2' ' A' ' 112' ' ' LYS . 3.8 mt -74.03 -26.18 60.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 41' ' ' LEU . 29.3 mt -97.31 -28.94 13.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.0 pt-20 -50.37 -47.78 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.2 t -86.83 16.87 4.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 87.4 mm-40 -117.25 153.77 50.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.543 0.687 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 149.54 67.03 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.761 2.308 . . . . 0.0 112.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -46.42 133.09 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.573 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 108.59 -30.45 8.8 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.607 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.8 m -49.69 117.58 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.925 ' HB3' HD22 ' A' ' 105' ' ' LEU . 32.2 p90 -108.93 167.86 9.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.681 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -169.6 160.1 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.467 HD13 HD22 ' A' ' 86' ' ' LEU . 46.9 mt -133.49 148.5 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.545 ' NH2' ' CE1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -141.29 135.18 30.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 21' ' ' GLY . 86.5 t -50.76 122.46 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 t -89.14 123.78 33.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -91.9 -46.72 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.5 m -43.45 -61.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -121.04 126.04 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 p -41.39 133.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.87 -129.01 5.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD2' HD11 ' A' ' 86' ' ' LEU . 91.3 m-85 -155.0 179.95 8.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.975 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.9 m -140.71 106.63 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.786 HD13 ' C ' ' A' ' 53' ' ' LEU . 1.8 tm? -83.33 128.58 34.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.531 ' N ' HD13 ' A' ' 53' ' ' LEU . 49.9 m -139.52 160.99 38.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.474 ' CD2' HD21 ' A' ' 105' ' ' LEU . 32.5 p90 -172.08 156.82 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -69.92 129.69 40.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -121.78 145.57 47.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.482 ' N ' HD21 ' A' ' 37' ' ' LEU . 5.2 mm-40 -34.87 -50.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -70.32 -60.2 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.527 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.1 m -174.3 169.29 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.4 t -48.66 136.77 12.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 99.1 m -111.89 145.81 38.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.545 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 88.2 m-70 -125.65 118.24 25.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.589 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CD2' HG21 ' A' ' 98' ' ' ILE . 25.8 m-85 -120.95 122.82 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.6 ptm -77.37 141.19 39.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -121.62 114.5 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 3.4 mtmp? -84.16 166.6 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.44 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -117.01 95.66 5.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.685 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.1 mm? -52.19 161.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -74.05 -20.28 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.45 9.17 4.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.3 18.67 79.08 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.0 p -112.53 -175.72 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 15.6 m-85 -137.11 139.9 41.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.647 ' HB3' HD21 ' A' ' 69' ' ' LEU . 5.0 ttt -154.23 129.66 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 77' ' ' PRO . 86.0 mt -71.05 138.61 84.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.75 86.68 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.768 2.312 . . . . 0.0 112.312 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.21 -11.7 1.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -93.42 -175.29 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -125.65 9.72 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.79 160.3 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -131.92 -177.6 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 10.8 m80 -154.98 144.5 21.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.3 p -52.89 -39.72 62.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.559 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 13.0 m -157.78 173.49 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 90' ' ' VAL . 47.9 mt -49.27 -45.29 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.87 -57.78 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.9 -7.01 42.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.506 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -99.16 -23.9 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 86' ' ' LEU . 84.5 t -78.71 -34.5 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 81.3 m -68.97 -44.74 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -67.56 -27.63 67.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -72.81 -25.41 61.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -70.5 -16.44 62.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -113.4 -29.4 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.428 ' N ' HD21 ' A' ' 104' ' ' LEU . 11.0 mmmt -122.27 121.1 27.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -166.51 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.752 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.5 mm -101.44 144.74 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.7 tt0 -38.86 -58.67 1.62 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.752 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.3 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.236 . . . . 0.0 112.316 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -99.57 117.66 34.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.428 ' CD ' ' H ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -82.23 16.46 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -85.88 139.47 31.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.428 HD21 ' N ' ' A' ' 96' ' ' LYS . 12.9 mt -104.17 177.63 4.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.925 HD22 ' HB3' ' A' ' 40' ' ' PHE . 41.3 mt -104.24 166.62 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.563 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.4 p -130.29 -55.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -151.85 151.73 28.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 144.02 52.81 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 42.9 t -76.05 161.01 29.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -118.08 131.86 56.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -49.12 162.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.499 ' HG2' HD21 ' A' ' 31' ' ' LEU . 24.8 mmmt -85.52 25.46 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -146.76 160.94 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.2 t -78.79 -55.06 5.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 96.34 80.58 1.53 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -41.47 4.15 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.339 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.3 m -159.98 163.47 34.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.8 t -43.91 -55.72 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -144.95 167.08 23.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.844 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 m -152.29 148.53 27.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.61 78.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.8 t -140.56 121.8 14.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.922 0.391 . . . . 0.0 110.731 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -145.18 168.11 21.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.58 158.14 2.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.416 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 154.33 139.69 2.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -162.35 154.18 18.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.8 mt -113.68 136.13 53.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.55 133.59 38.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.034 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -53.59 114.85 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -148.26 166.53 27.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.34 28.96 4.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.623 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.6 p -138.26 138.18 22.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.666 0.746 . . . . 0.0 111.086 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.623 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.3 Cg_endo -69.75 176.02 7.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -88.27 -40.41 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.424 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 62.5 p-90 -58.17 -11.87 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -92.8 85.68 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.551 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 40.2 m-70 -86.73 28.76 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.05 -130.94 32.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -111.54 89.34 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 111.069 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.2 pt -98.22 174.08 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 27' ' ' ASP . 48.5 m -94.39 144.2 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -39.63 -43.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.13 -41.94 99.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' SER . 63.6 m-20 -60.37 -65.19 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.79 -55.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -54.9 -42.81 72.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -69.83 -25.2 63.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mt -74.76 -27.86 60.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 HD12 ' A' ' 41' ' ' LEU . 56.9 mt -98.55 -28.37 13.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.1 pt-20 -52.17 -48.47 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.0 t -83.49 13.03 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -114.16 154.57 46.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 152.93 69.11 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.72 2.28 . . . . 0.0 112.309 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.479 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -51.64 125.94 16.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.481 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 115.97 -26.97 8.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.447 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.612 ' O ' HD22 ' A' ' 32' ' ' LEU . 32.9 m -54.22 116.34 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.647 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 15.6 p90 -108.44 153.12 23.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.885 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -160.25 143.57 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.573 ' N ' HD22 ' A' ' 41' ' ' LEU . 97.2 mt -110.91 148.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' VAL . 14.4 ptt85 -140.19 109.18 6.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' ARG . 60.0 t -37.3 135.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.4 t -99.21 158.23 15.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -120.68 -49.85 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.4 m -44.79 -43.53 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -125.56 141.56 51.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.33 116.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.61 -142.21 11.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.434 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.734 ' CD2' HD11 ' A' ' 86' ' ' LEU . 39.2 m-85 -138.53 -179.01 5.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 0.0 110.893 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.1 m -143.66 119.9 10.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 54' ' ' SER . 6.1 tp -96.44 149.83 21.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.429 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 38.4 m -156.26 164.87 37.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.801 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.405 ' CD2' HD21 ' A' ' 105' ' ' LEU . 31.2 p90 -174.34 151.8 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -66.74 123.13 19.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -115.32 144.55 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.107 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.431 ' N ' HD21 ' A' ' 37' ' ' LEU . 20.0 mm-40 -36.88 -46.5 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.5 p -72.76 -64.89 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -170.95 161.38 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -48.3 144.23 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.8 t -120.69 163.66 17.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -142.28 112.16 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.668 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CD2' HG21 ' A' ' 98' ' ' ILE . 4.7 m-85 -110.57 131.91 54.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.2 ptm -87.31 139.95 30.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.0 t -122.22 119.95 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -93.06 173.93 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.813 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.572 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 2.4 tt -116.95 99.48 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.642 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.4 mm? -51.47 -177.44 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -92.73 -22.25 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -80.33 8.52 7.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.64 48.82 7.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.411 ' OG1' HD23 ' A' ' 69' ' ' LEU . 61.3 p -142.7 165.76 26.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.175 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.572 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 2.2 m-85 -126.52 118.87 25.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.9 ptm -131.55 161.43 32.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 77' ' ' PRO . 22.2 mt -94.33 138.67 22.39 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.639 0.733 . . . . 0.0 111.189 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.78 86.06 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.749 2.299 . . . . 0.0 112.281 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.89 -16.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.65 -179.35 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -120.05 20.62 12.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.2 m -148.53 152.05 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.45 -176.08 3.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.509 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 5.2 m80 -148.36 147.15 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.3 p -53.24 -51.44 62.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.48 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 16.7 m -147.98 164.67 33.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.734 HD11 ' CD2' ' A' ' 51' ' ' TYR . 47.2 mt -39.21 -43.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -50.88 -61.75 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.31 -4.56 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.621 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -99.38 -25.14 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 86' ' ' LEU . 93.3 t -79.03 -37.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.5 m -67.9 -53.31 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 20.5 t80 -53.91 -28.21 35.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 6.0 m-70 -70.07 -36.9 75.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -58.81 -15.51 12.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -115.04 -28.68 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -123.27 117.9 27.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -167.79 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.411 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.793 HG22 ' HD2' ' A' ' 100' ' ' PRO . 3.0 mm -101.58 139.47 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.072 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.0 tt0 -34.59 -58.65 0.65 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 121.631 0.729 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.793 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.74 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.623 2.215 . . . . 0.0 112.298 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 98' ' ' ILE . 2.3 mmp_? -99.39 116.56 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -84.64 16.13 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -84.43 134.62 34.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 104' ' ' LEU . 11.6 mt -96.55 169.85 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 40' ' ' PHE . 30.6 mt -97.57 165.51 11.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.481 HG23 ' HA3' ' A' ' 38' ' ' GLY . 5.4 p -125.63 -57.72 1.44 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.406 ' N ' ' OG1' ' A' ' 106' ' ' THR . 8.2 pt20 -152.03 153.68 31.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.651 0.739 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 145.34 57.36 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 35.9 t -82.57 161.51 22.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -113.09 145.38 41.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -70.79 151.6 44.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.87 171.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.86 106.07 10.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.4 m -59.44 -63.51 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.784 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 174.84 145.31 5.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.487 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 178.89 4.16 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.735 2.29 . . . . 0.0 112.321 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.6 t -125.45 120.88 32.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.7 p -91.83 -48.61 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.533 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -81.31 155.45 26.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.9 m -75.27 -54.55 6.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.02 100.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.521 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 m -154.85 172.88 17.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 p 41.33 44.19 2.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.805 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.38 -179.75 16.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.524 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.2 -165.6 5.42 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -136.81 131.21 32.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.941 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mt -124.59 39.53 3.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.12 -40.38 10.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -84.93 98.63 10.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -133.85 108.44 8.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.1 49.65 0.87 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.503 HG23 ' HD2' ' A' ' 16' ' ' PRO . 13.9 p -146.2 136.83 12.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.596 0.712 . . . . 0.0 111.086 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.7 Cg_endo -69.76 163.82 36.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.1 pt-20 -78.19 -30.28 48.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 58.9 p-90 -70.8 -5.21 28.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.481 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 76.0 t80 -102.83 93.02 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -87.78 38.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.481 ' HA2' ' CE2' ' A' ' 19' ' ' PHE . . . 45.54 -106.44 0.12 Allowed Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.485 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.11 98.21 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.634 ' CD1' ' HB2' ' A' ' 28' ' ' ALA . 23.0 pt -108.51 169.92 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 t -95.13 152.93 17.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -49.63 -26.77 3.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.84 -36.66 28.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.72 -54.97 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.634 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -47.95 -58.01 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -56.58 -35.11 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -73.85 -26.88 60.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.5 HD23 ' HG3' ' A' ' 112' ' ' LYS . 6.7 mt -74.94 -29.69 61.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.689 HD11 HD12 ' A' ' 41' ' ' LEU . 15.8 mt -92.81 -25.52 18.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.4 pt-20 -53.26 -43.91 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.9 m -90.13 18.43 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -117.58 156.02 49.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 148.96 66.44 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.63 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -47.53 134.49 12.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.99 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.648 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 105.56 -25.59 23.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.432 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.513 ' O ' HD22 ' A' ' 32' ' ' LEU . 15.2 m -52.96 115.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.612 ' CE1' HG11 ' A' ' 90' ' ' VAL . 32.8 p90 -105.65 166.25 10.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.781 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -169.08 158.2 8.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.81 HD13 HD22 ' A' ' 86' ' ' LEU . 18.4 mt -128.74 141.55 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' VAL . 6.3 ptm180 -131.88 112.76 12.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ARG . 54.2 t -34.11 133.25 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.1 m -80.86 164.22 22.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -131.58 -51.82 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -53.53 -56.18 19.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.779 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -118.74 134.1 55.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 p -51.96 124.86 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.616 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 144.39 -133.24 5.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.425 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.732 ' CD2' HD11 ' A' ' 86' ' ' LEU . 21.0 m-85 -153.79 172.96 16.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.398 . . . . 0.0 110.947 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.1 m -134.6 116.36 14.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.2 tm? -88.81 131.59 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.497 ' N ' HD22 ' A' ' 53' ' ' LEU . 2.9 m -143.48 157.75 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.775 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.469 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 31.4 p90 -169.54 162.2 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -79.61 124.96 29.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -117.24 146.94 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' ALA . 10.7 mt-30 -34.29 -51.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -69.28 -60.37 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.1 m -174.94 172.04 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.809 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.75 141.74 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.458 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 99.6 m -116.74 146.58 42.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -124.48 133.51 53.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.638 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.73 ' CD2' HG21 ' A' ' 98' ' ' ILE . 34.9 m-85 -136.9 135.82 38.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.3 ptm -90.73 135.79 33.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.402 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 58.3 t -117.4 115.01 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -84.38 163.5 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 tt -110.98 96.64 6.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.79 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.0 OUTLIER -49.88 178.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -85.34 -23.59 27.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.58 22.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.37 24.47 69.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.568 ' OG1' HD23 ' A' ' 69' ' ' LEU . 20.1 p -112.61 177.49 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 17.5 m-85 -132.91 129.61 38.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.79 ' HB3' HD21 ' A' ' 69' ' ' LEU . 3.0 ttt -139.74 125.97 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.647 HG23 ' HD2' ' A' ' 77' ' ' PRO . 70.1 mt -71.99 138.46 82.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.704 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.647 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.84 109.61 2.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.66 -11.84 7.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -97.11 -177.62 3.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.955 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 3.5 mppt? -125.76 18.97 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.99 160.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.484 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -129.51 -175.11 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.499 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 15.4 m-70 -159.5 140.29 12.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.7 p -54.28 -50.34 67.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' LEU . 42.6 m -144.1 156.53 44.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.81 HD22 HD13 ' A' ' 42' ' ' ILE . 54.1 mt -34.34 -47.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -46.57 -60.0 2.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.76 -5.97 18.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.499 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -100.57 -24.87 14.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.612 HG11 ' CE1' ' A' ' 40' ' ' PHE . 81.5 t -79.94 -40.66 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.061 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -62.13 -40.34 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -72.86 -25.13 60.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.412 ' CE1' HD12 ' A' ' 76' ' ' ILE . 2.5 m-70 -73.79 -26.22 60.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -69.78 -10.27 57.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -120.14 -25.2 5.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -127.59 116.88 21.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.665 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.5 Cg_endo -69.74 -169.77 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.743 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -95.48 142.63 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.8 tt0 -35.74 -58.54 0.85 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.674 0.749 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.743 ' HD2' HG22 ' A' ' 98' ' ' ILE . 52.9 Cg_endo -69.86 -50.76 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -97.95 114.95 27.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -83.8 22.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 2.6 tm-20 -88.48 142.0 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.665 HD21 ' HD3' ' A' ' 97' ' ' PRO . 14.7 mt -105.02 175.61 5.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.439 HD13 ' CG ' ' A' ' 40' ' ' PHE . 16.0 mt -106.45 175.41 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.648 HG23 ' HA3' ' A' ' 38' ' ' GLY . 8.6 p -134.96 -62.06 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.3 pt20 -146.02 153.72 49.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.423 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.4 Cg_endo -69.81 142.67 48.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.625 2.217 . . . . 0.0 112.367 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.0 t -77.1 166.63 23.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.446 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 8.1 mmt-85 -121.47 131.69 54.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -61.28 143.01 56.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.5 ' HG3' HD23 ' A' ' 31' ' ' LEU . 18.5 mtmm -103.57 41.81 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -131.45 43.12 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.801 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 81.0 p -146.65 108.16 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.3 -65.35 1.75 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 107.5 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.753 2.302 . . . . 0.0 112.248 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 98.2 p -116.54 126.55 53.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.4 m 41.46 41.89 1.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.539 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 39.8 48.85 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -107.06 86.32 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.64 -163.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -142.11 140.81 32.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -125.92 115.84 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.5 175.82 18.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.74 120.65 0.7 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -93.97 92.25 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.942 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.53 122.34 13.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.05 179.47 7.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.079 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -97.75 107.43 19.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -142.96 167.89 21.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.23 31.9 3.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.44 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 11.6 p -132.43 135.76 26.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 54.0 Cg_endo -69.79 -177.66 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HA ' ' NE2' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -91.72 -40.36 11.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 52.7 p-90 -61.69 -13.07 19.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -95.84 82.42 3.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.537 ' CE1' HD22 ' A' ' 31' ' ' LEU . 21.4 m-70 -72.76 -19.39 61.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.552 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 96.61 -131.55 10.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.84 95.01 9.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.731 0.3 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 33.3 pt -120.78 161.6 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.01 159.75 15.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.8 tpp85 -39.8 -48.82 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -59.8 -41.23 90.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.431 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 11.6 m-20 -60.91 -56.83 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.14 -48.19 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.54 -38.7 90.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -73.76 -23.24 59.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.537 HD22 ' CE1' ' A' ' 20' ' ' HIS . 7.2 mt -78.28 -28.7 47.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 39' ' ' SER . 11.3 mt -96.04 -24.17 16.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.4 pt-20 -51.54 -46.04 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.466 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.5 t -87.7 16.05 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -115.87 153.96 48.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.582 0.706 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 149.89 67.26 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.55 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -49.05 129.29 17.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.591 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 111.3 -19.68 24.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' HD22 ' A' ' 32' ' ' LEU . 7.2 m -60.72 121.05 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.824 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.731 ' CE1' HG11 ' A' ' 90' ' ' VAL . 29.0 p90 -110.33 168.37 9.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 54' ' ' SER . 0.0 OUTLIER -166.18 172.84 10.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' N ' HD22 ' A' ' 41' ' ' LEU . 16.3 mt -140.78 138.73 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.472 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 10.5 ptm180 -124.26 158.82 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 21' ' ' GLY . 59.3 t -78.58 117.0 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -70.23 151.44 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -125.78 -52.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -50.5 -46.25 57.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -127.04 151.13 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.72 133.79 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.78 -141.9 13.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' CD2' HD11 ' A' ' 86' ' ' LEU . 76.2 m-85 -139.99 -175.44 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.908 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.1 m -146.98 116.56 7.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 93' ' ' HIS . 6.3 tp -91.45 146.9 23.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.559 ' HB2' HD11 ' A' ' 41' ' ' LEU . 50.8 m -153.98 167.15 30.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.487 ' CD2' HD21 ' A' ' 105' ' ' LEU . 38.1 p90 -175.02 156.71 2.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -73.55 128.79 36.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.922 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -120.77 144.62 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' N ' HD21 ' A' ' 37' ' ' LEU . 20.5 mt-30 -34.99 -59.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -65.37 -59.44 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.922 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 94.6 p -164.36 172.92 12.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.7 m -61.32 154.9 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.533 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 29.9 m -111.31 162.05 15.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -151.88 106.35 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.551 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.684 ' CD2' HG21 ' A' ' 98' ' ' ILE . 9.8 m-85 -117.37 144.02 45.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.0 ptm -99.91 136.02 40.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.6 HG12 ' HB3' ' A' ' 74' ' ' PHE . 18.3 t -116.98 104.41 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -71.42 169.77 14.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.5 99.54 7.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.865 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.5 mm? -55.08 173.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -81.0 -21.73 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.09 25.16 1.0 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.27 18.29 60.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.464 HG22 ' HA ' ' A' ' 84' ' ' THR . 80.5 p -108.71 172.32 6.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.333 . . . . 0.0 111.18 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.6 ' HB3' HG12 ' A' ' 66' ' ' VAL . 1.6 m-85 -128.86 127.6 42.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.865 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.3 ttt -134.14 128.98 35.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.654 HG23 ' HD2' ' A' ' 77' ' ' PRO . 71.9 mt -76.44 138.65 67.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.666 0.746 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.78 92.89 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.29 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.18 -14.41 2.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.499 ' O ' ' CE ' ' A' ' 75' ' ' MET . 30.2 mt-10 -94.97 156.22 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 80' ' ' LYS . 10.8 mmmt -100.01 22.38 11.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.08 162.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.454 ' O ' ' CD2' ' A' ' 83' ' ' HIS . . . -130.98 -179.29 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 5.3 m80 -152.94 148.24 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.464 ' HA ' HG22 ' A' ' 73' ' ' THR . 17.7 p -56.29 -47.7 78.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 46.2 m -148.18 178.89 8.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.797 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 90' ' ' VAL . 28.9 mt -53.07 -50.95 63.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -46.78 -56.48 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.96 -7.05 43.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -98.71 -25.28 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.731 HG11 ' CE1' ' A' ' 40' ' ' PHE . 91.9 t -80.15 -49.2 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.2 m -53.03 -41.12 64.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 18.5 t80 -69.83 -30.72 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.476 ' CD2' HD22 ' A' ' 53' ' ' LEU . 4.6 m-70 -69.14 -24.63 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -69.69 -20.39 63.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -111.18 -24.82 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 11.1 mmmt -126.26 118.64 23.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.579 0.704 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.79 -171.5 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.257 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.729 HG22 ' HD2' ' A' ' 100' ' ' PRO . 1.9 mm -97.26 152.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.534 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -45.55 -58.4 6.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.665 0.745 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.729 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.5 Cg_endo -69.8 -50.72 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.384 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -99.56 115.05 28.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.59 8.47 9.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.33 138.22 40.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mt -101.16 176.06 5.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 40' ' ' PHE . 18.1 mt -107.49 171.06 7.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.591 HG23 ' HA3' ' A' ' 38' ' ' GLY . 3.5 p -129.82 -59.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.437 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.6 pt20 -147.97 152.67 40.79 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.37 50.59 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 36.7 t -74.68 156.69 36.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -110.58 142.92 41.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 17' ' ' GLU . 14.6 mp0 -42.22 157.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 111' ' ' GLN . 3.1 mptt -37.04 132.52 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -49.87 -62.34 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 m -72.82 -74.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.6 85.55 1.66 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 130.29 19.15 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.701 2.268 . . . . 0.0 112.292 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 51.5 m -112.81 126.64 55.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.2 m -81.09 168.87 18.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.551 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.241 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -167.84 114.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.869 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -94.82 -49.16 5.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.19 45.81 2.73 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 p -115.46 96.9 5.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.801 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 p -92.72 141.53 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.11 151.39 17.42 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.471 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.13 -175.99 39.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -131.44 145.71 51.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 mt -99.52 41.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.88 147.94 36.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -48.73 121.07 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.44 75.67 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.29 41.36 2.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.561 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.6 p -141.04 137.38 16.88 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.569 0.7 . . . . 0.0 111.159 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.596 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 54.3 Cg_endo -69.7 -174.99 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.6 -40.09 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.596 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 57.7 p-90 -58.45 -14.58 8.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -95.85 121.54 37.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.735 ' CE1' HD13 ' A' ' 31' ' ' LEU . 16.4 m-70 -104.2 -54.33 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 126.54 86.04 0.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.532 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.861 ' HB1' ' NE2' ' A' ' 46' ' ' HIS . . . 34.79 37.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.8 0.334 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.488 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 9.1 pt -50.51 170.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 27' ' ' ASP . 3.2 t -87.34 140.53 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -37.6 -40.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -70.38 -39.93 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -58.74 -43.23 90.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.28 93.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.425 ' CD ' ' HB2' ' A' ' 61' ' ' CYS . 3.1 mm-40 -70.98 -33.92 70.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -81.38 -28.83 34.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.735 HD13 ' CE1' ' A' ' 20' ' ' HIS . 5.6 mt -71.58 -30.78 66.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD11 HD11 ' A' ' 41' ' ' LEU . 14.0 mt -90.9 -27.93 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 34' ' ' SER . 4.7 pt-20 -53.61 -40.77 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 33' ' ' GLU . 3.9 t -85.16 4.71 33.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.798 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -110.63 154.4 43.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.712 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 151.43 69.31 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.689 2.259 . . . . 0.0 112.39 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.567 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -46.84 134.34 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.583 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 108.99 -36.51 4.31 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.533 ' O ' HD22 ' A' ' 32' ' ' LEU . 5.6 m -45.86 119.63 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.81 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.77 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.9 p90 -110.86 168.4 9.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.632 HD11 HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -168.44 166.77 12.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.595 HD12 ' CZ3' ' A' ' 18' ' ' TRP . 21.8 mt -133.32 138.44 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 6.5 ptm180 -126.63 112.11 15.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.743 ' HB ' ' HB2' ' A' ' 22' ' ' ALA . 96.1 t -33.95 130.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.3 m -83.41 157.33 22.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.861 ' NE2' ' HB1' ' A' ' 22' ' ' ALA . 96.6 m-70 -121.05 -40.2 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.06 -50.51 66.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 52.8 p-80 -119.18 174.45 6.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 49' ' ' VAL . 13.8 m -84.79 33.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.552 ' HA3' ' CD2' ' A' ' 48' ' ' HIS . . . -119.58 -142.96 6.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CG ' HD21 ' A' ' 86' ' ' LEU . 97.8 m-85 -140.86 -178.27 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 64' ' ' PHE . 88.5 m -139.55 117.58 11.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.787 HD13 ' C ' ' A' ' 53' ' ' LEU . 1.3 tm? -95.07 137.11 34.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.618 ' H ' HD22 ' A' ' 53' ' ' LEU . 31.0 m -146.04 165.94 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.46 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 39.0 p90 -175.11 164.55 3.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -78.27 124.44 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.535 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -118.79 142.3 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.478 ' N ' HD21 ' A' ' 37' ' ' LEU . 4.1 mm100 -36.83 -54.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.1 p -61.82 -64.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 t -174.29 155.77 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.425 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 1.8 m -41.05 142.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.3 m -119.36 160.99 21.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -142.12 115.98 9.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.609 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.661 ' CD2' HG21 ' A' ' 98' ' ' ILE . 14.1 m-85 -116.77 147.06 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 ptm -100.65 151.3 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 66.8 t -129.93 111.83 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -77.85 164.8 24.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.416 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.3 tt -117.81 100.8 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.606 HD22 ' H ' ' A' ' 69' ' ' LEU . 1.1 mm? -60.28 167.73 2.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -77.11 -13.45 59.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -88.03 21.22 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.99 20.01 64.14 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.403 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.6 p -112.93 170.63 8.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.494 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 48.7 m-85 -123.73 136.68 54.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.5 ' CB ' HD21 ' A' ' 69' ' ' LEU . 6.7 tpt -138.43 135.8 35.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.529 ' CD1' ' NE2' ' A' ' 93' ' ' HIS . 27.1 mt -87.11 132.49 41.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 84.94 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.303 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.51 -30.05 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -86.83 -174.71 5.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -123.39 11.33 9.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.404 ' O ' ' SD ' ' A' ' 75' ' ' MET . 2.6 m -137.06 147.03 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -111.89 -179.07 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 17.3 m-70 -148.12 158.96 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.6 p -68.11 -49.89 58.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 3.5 m -152.29 162.13 41.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.806 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.8 mp -36.38 -45.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.16 -55.66 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.5 -7.74 53.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.496 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.54 -18.76 18.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 86' ' ' LEU . 90.9 t -84.77 -36.82 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.3 m -67.58 -47.63 69.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.66 -30.2 71.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.529 ' NE2' ' CD1' ' A' ' 76' ' ' ILE . 2.7 m-70 -69.27 -30.7 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -65.81 -19.63 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -110.52 -22.96 11.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -130.27 119.7 18.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.529 0.68 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -166.31 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.695 2.264 . . . . 0.0 112.33 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.756 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.3 mm -101.75 144.7 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.536 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.7 tt0 -39.04 -58.33 1.8 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.675 0.75 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.756 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.3 Cg_endo -69.69 -50.26 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.781 2.32 . . . . 0.0 112.328 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.37 115.58 29.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -84.41 26.98 0.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE2' ' N ' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -93.26 144.91 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.438 ' N ' ' OE2' ' A' ' 103' ' ' GLU . 11.2 mt -106.34 179.03 4.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.77 HD22 ' HB3' ' A' ' 40' ' ' PHE . 28.0 mt -110.7 168.05 9.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.583 HG23 ' HA3' ' A' ' 38' ' ' GLY . 1.8 p -129.69 -55.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -154.18 152.42 26.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.545 0.688 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.31 53.58 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.322 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 46.8 t -78.72 151.33 32.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.67 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -39.17 148.44 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -71.28 164.31 25.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.51 118.71 18.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.4 t -78.28 -60.57 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 139.4 144.91 4.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.523 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' SER . 53.7 Cg_endo -69.8 -17.89 37.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.726 2.284 . . . . 0.0 112.3 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' PRO . 16.8 p -34.6 145.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 85.7 p -120.48 132.95 55.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 p -174.29 124.02 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.381 . . . . 0.0 110.813 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -141.59 166.37 24.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.37 166.34 11.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.533 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -165.51 136.41 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 p -91.21 83.35 5.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.903 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.13 -92.78 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.98 128.76 6.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -135.09 122.01 21.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.1 mt -71.21 113.8 8.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.982 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.68 162.98 12.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -137.53 114.05 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -137.82 156.61 47.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.02 49.0 3.01 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.569 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.583 HG23 ' HD2' ' A' ' 16' ' ' PRO . 8.6 p -142.22 137.51 15.78 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.609 0.718 . . . . 0.0 111.058 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.82 -176.86 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.722 2.282 . . . . 0.0 112.312 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 4.9 pt-20 -93.89 -27.2 16.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.58 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 58.7 p-90 -72.0 -4.62 29.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -100.55 91.15 4.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.611 ' O ' HG23 ' A' ' 23' ' ' ILE . 34.2 m-70 -85.93 34.96 0.61 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.42 -128.22 45.75 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.77 88.13 2.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 20' ' ' HIS . 14.4 pt -107.36 165.1 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' ASP . 15.7 m -104.8 145.36 30.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.515 ' HG3' ' N ' ' A' ' 26' ' ' GLU . 39.1 ptt85 -34.26 -42.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 11.9 pt-20 -56.01 -50.33 71.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -65.49 -46.5 79.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.807 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.01 -51.0 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.02 -38.96 80.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -71.1 -26.06 62.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.682 HD21 ' HG2' ' A' ' 112' ' ' LYS . 4.0 mt -75.79 -33.42 60.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.849 HD21 HD12 ' A' ' 41' ' ' LEU . 12.7 mt -89.08 -28.0 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.7 pt-20 -49.16 -44.43 42.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.446 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.5 t -90.84 24.12 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -124.03 155.9 66.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.04 66.49 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.728 2.285 . . . . 0.0 112.312 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.506 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -49.57 127.47 15.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.608 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 112.77 -22.75 16.05 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.646 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.8 m -57.2 119.45 6.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.803 ' HB3' HD22 ' A' ' 105' ' ' LEU . 42.9 p90 -110.97 164.1 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.849 HD12 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -167.56 149.23 5.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.578 HG21 HD13 ' A' ' 86' ' ' LEU . 62.2 mt -117.87 141.33 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.513 ' CB ' ' CG1' ' A' ' 23' ' ' ILE . 17.8 ptt85 -130.37 127.69 39.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.1 t -41.59 133.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 m -80.46 161.73 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -122.93 -42.35 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -57.23 -54.85 42.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -113.22 175.84 5.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.804 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.5 m -85.09 28.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.462 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -112.35 -136.52 6.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.533 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.786 ' CD2' HD11 ' A' ' 86' ' ' LEU . 23.9 m-85 -145.13 -179.6 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.895 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.496 HG21 ' NH2' ' A' ' 43' ' ' ARG . 97.3 m -137.07 116.66 12.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tp -96.11 138.13 34.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.6 m -147.25 167.75 23.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 64' ' ' PHE . 53.3 p90 -175.05 164.65 3.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -83.4 127.31 33.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.447 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -118.73 152.34 36.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.05 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -42.51 -41.9 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -74.03 -64.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -174.73 165.86 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.1 m -48.6 141.17 7.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.9 m -123.09 149.2 44.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -124.58 123.0 39.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.615 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.751 ' CE2' HG21 ' A' ' 98' ' ' ILE . 53.0 m-85 -119.22 138.74 52.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 ptm -99.89 136.15 40.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.612 HG22 HG12 ' A' ' 76' ' ' ILE . 71.4 t -121.69 113.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -79.11 176.27 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -118.31 102.92 9.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 75' ' ' MET . 3.1 mm? -55.32 176.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -84.74 -24.75 28.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -81.29 12.8 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.22 12.6 84.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.494 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.626 HG22 ' HA ' ' A' ' 84' ' ' THR . 82.7 p -100.74 -177.78 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 5.4 m-85 -137.78 124.0 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.689 ' HB3' HD21 ' A' ' 69' ' ' LEU . 3.0 ttt -130.19 132.68 46.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.612 HG12 HG22 ' A' ' 66' ' ' VAL . 75.8 mt -76.59 135.28 68.58 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.612 0.72 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.532 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.74 80.37 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.743 2.296 . . . . 0.0 112.313 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.08 -28.68 0.3 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -83.34 -176.15 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.12 19.47 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.77 162.81 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 75' ' ' MET . . . -131.88 177.33 7.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 7.1 m80 -150.25 148.7 29.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.626 ' HA ' HG22 ' A' ' 73' ' ' THR . 17.3 p -53.55 -53.55 50.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.048 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.556 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 9.4 m -144.67 159.64 42.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.814 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.786 HD11 ' CD2' ' A' ' 51' ' ' TYR . 68.7 mt -36.73 -47.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -48.05 -59.64 3.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.84 -8.94 40.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.506 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -96.13 -26.3 15.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.487 HG11 ' CE2' ' A' ' 40' ' ' PHE . 53.4 t -75.46 -47.74 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.7 m -55.44 -50.56 69.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.1 -31.25 69.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -66.29 -37.26 85.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -58.22 -18.9 29.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -110.89 -22.26 11.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.48 115.65 18.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.695 ' HD3' HD21 ' A' ' 104' ' ' LEU . 54.4 Cg_endo -69.76 -174.93 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.773 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -89.07 144.68 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -37.91 -58.73 1.32 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.731 . . . . 0.0 110.835 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.773 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.3 Cg_endo -69.76 -52.16 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.362 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HD3' ' CE2' ' A' ' 64' ' ' PHE . 3.7 mpt_? -91.52 115.0 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -85.28 26.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -99.15 143.96 28.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.695 HD21 ' HD3' ' A' ' 97' ' ' PRO . 15.6 mt -102.87 174.93 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 40' ' ' PHE . 21.9 mt -101.1 171.25 7.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.608 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.7 p -130.27 -57.33 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.413 ' N ' ' OG1' ' A' ' 106' ' ' THR . 23.4 pt20 -152.36 150.37 25.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 145.77 58.17 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.662 2.242 . . . . 0.0 112.385 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 47.1 t -74.72 163.72 27.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.498 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 6.6 mmt180 -119.94 136.04 54.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -44.57 161.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.682 ' HG2' HD21 ' A' ' 31' ' ' LEU . 23.1 mmmt -68.72 -1.87 7.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.94 -46.57 3.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.9 m -53.69 -50.88 64.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.29 -158.8 4.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 116.88 4.77 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.729 2.286 . . . . 0.0 112.334 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 91.7 p -85.09 152.33 23.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.0 p -75.25 132.67 41.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.795 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.531 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -105.45 -55.62 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.836 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -84.63 130.09 34.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.68 -154.89 26.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -91.3 140.22 29.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 m 46.52 48.15 14.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.28 96.84 1.0 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.39 131.83 5.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -92.42 62.46 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.307 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 mt -130.88 139.91 50.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.88 149.46 9.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -145.78 109.53 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -121.88 116.27 24.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.48 43.02 1.28 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.493 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 16' ' ' PRO . 86.1 t -134.69 138.73 30.51 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.645 0.736 . . . . 0.0 111.097 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.1 Cg_endo -69.86 176.45 6.82 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.277 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.2 -41.97 14.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.653 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 64.1 p-90 -58.95 -12.96 5.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 66.2 t80 -98.34 117.11 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.645 ' HE1' HD22 ' A' ' 31' ' ' LEU . 36.7 m-70 -110.34 20.48 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 68.1 -106.5 1.74 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.18 80.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 14.6 pt -94.34 172.54 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.066 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 m -102.24 159.47 15.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -45.66 -54.03 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 10.5 pt-20 -55.13 -44.61 75.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 79.7 m-20 -55.88 -57.47 11.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.26 -51.82 31.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -58.85 -35.39 72.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -75.59 -25.53 57.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.645 HD22 ' HE1' ' A' ' 20' ' ' HIS . 5.2 mt -75.68 -28.1 58.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.619 HD11 HD12 ' A' ' 41' ' ' LEU . 18.3 mt -95.86 -26.16 15.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.9 pt-20 -52.5 -46.36 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.471 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.8 m -85.57 10.79 12.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -112.69 155.0 44.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.594 0.711 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 153.0 69.3 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -51.57 131.93 29.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.613 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 108.91 -21.91 26.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 m -57.23 122.38 12.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.387 . . . . 0.0 110.904 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.779 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.9 p90 -110.6 158.06 18.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.828 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.48 147.67 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.83 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.654 HD13 HD22 ' A' ' 86' ' ' LEU . 69.4 mt -118.04 145.26 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.497 HH12 HG22 ' A' ' 52' ' ' THR . 13.0 ptt-85 -135.76 120.02 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 21' ' ' GLY . 90.6 t -44.41 106.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.5 p -73.32 141.47 47.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -110.92 -38.16 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.6 m -48.06 -55.12 10.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -124.44 143.45 50.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 49' ' ' VAL . 12.7 p -52.7 120.68 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.61 -152.62 20.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.841 ' CD2' HD11 ' A' ' 86' ' ' LEU . 4.0 m-85 -130.46 171.82 12.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.931 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.497 HG22 HH12 ' A' ' 43' ' ' ARG . 64.2 m -133.41 93.93 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.17 142.37 54.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.2 m -150.67 165.25 33.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.581 ' CD2' HD21 ' A' ' 105' ' ' LEU . 9.5 p90 -174.75 143.28 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -56.44 125.33 21.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -118.1 143.43 46.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ALA . 22.9 mt-30 -35.87 -55.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.8 p -65.94 -60.12 3.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 15.6 t -174.35 154.35 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.814 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 4.4 m -35.48 148.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.1 m -119.92 147.1 45.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -130.56 114.97 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.611 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.601 ' CD1' HG21 ' A' ' 98' ' ' ILE . 36.2 m-85 -115.7 124.38 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.6 ptm -78.81 142.95 36.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.439 HG22 HG12 ' A' ' 76' ' ' ILE . 90.4 t -124.92 129.88 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 166.97 10.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.05 94.75 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.7 mm? -48.01 169.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -75.64 -22.56 56.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -84.59 21.32 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.16 17.95 66.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.3 p -106.83 179.94 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.185 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 14.2 m-85 -129.57 135.1 48.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.845 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -142.87 132.18 23.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.64 HG23 ' HD2' ' A' ' 77' ' ' PRO . 59.8 mt -83.87 138.64 40.26 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.573 0.701 . . . . 0.0 111.165 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.64 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.3 Cg_endo -69.73 85.67 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.03 -19.47 0.56 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' CE ' ' A' ' 75' ' ' MET . 57.9 mm-40 -98.79 155.33 17.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.986 0.422 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.457 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 4.6 mmmm -99.1 31.28 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.89 165.59 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.17 177.33 7.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -148.75 150.49 33.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.3 p -55.68 -50.77 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.575 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 4.2 m -148.91 175.9 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.841 HD11 ' CD2' ' A' ' 51' ' ' TYR . 84.7 mt -49.64 -49.92 45.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.36 -54.1 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.66 -11.07 60.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.636 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -98.17 -15.98 19.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 86' ' ' LEU . 80.3 t -87.71 -37.32 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.5 m -70.71 -43.84 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -64.21 -30.62 71.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -67.91 -36.2 79.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -53.05 -19.1 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -113.03 -28.59 7.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.53 112.43 29.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.74 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.4 Cg_endo -69.75 -164.08 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.655 2.237 . . . . 0.0 112.283 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.733 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -98.91 139.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -35.04 -58.5 0.72 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.667 0.746 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.733 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.75 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -100.49 112.41 24.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.9 -11.7 60.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.73 128.45 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.74 HD21 ' HD3' ' A' ' 97' ' ' PRO . 10.4 mt -94.28 177.9 5.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 40' ' ' PHE . 34.6 mt -106.59 151.74 24.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.591 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.0 p -114.99 -54.87 2.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -153.51 153.26 28.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.51 0.672 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.38 53.83 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.68 148.35 35.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -102.85 150.62 23.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.421 ' NE2' ' ND1' ' A' ' 20' ' ' HIS . 9.9 mm100 -46.02 172.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -101.13 65.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -175.15 137.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.3 m -106.33 92.91 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.67 172.64 24.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 90.91 0.51 Allowed 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.8 m -152.15 133.74 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.3 p -120.57 138.64 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.461 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -143.34 133.59 24.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.785 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -98.18 42.16 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.808 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.99 -111.14 2.04 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.544 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 m 43.72 42.46 4.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.878 0.37 . . . . 0.0 110.913 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -93.18 -49.65 5.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.31 -146.93 25.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.56 -163.91 1.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -166.35 127.54 1.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.367 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mt -81.78 92.96 6.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.5 176.69 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -60.44 110.3 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' GLY . 4.1 m-20 -77.88 84.62 4.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' ASP . . . -37.11 -35.66 0.16 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 8.7 p -134.56 136.27 25.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.634 0.731 . . . . 0.0 111.089 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.9 Cg_endo -69.69 -179.77 3.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.411 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -92.96 -40.03 10.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.445 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 56.6 p-90 -56.94 -14.59 3.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -89.41 88.26 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -84.84 39.93 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.27 -113.39 0.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.16 84.52 2.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.4 pt -96.87 -179.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 m -102.17 140.93 35.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' SER . 25.1 ttt180 -35.17 -46.93 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 16.4 pt-20 -62.96 -51.79 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 1.3 m-20 -53.65 -39.47 65.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.88 -61.73 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.65 ' CD ' ' CE1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -54.94 -38.47 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -67.43 -30.35 70.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.699 HD21 ' HG3' ' A' ' 112' ' ' LYS . 3.4 mt -71.56 -27.83 63.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.969 HD11 HD12 ' A' ' 41' ' ' LEU . 16.3 mt -93.15 -27.21 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.978 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.0 pt-20 -52.01 -43.04 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.423 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.0 m -88.83 15.48 8.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -114.53 156.71 44.28 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.701 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 149.58 67.38 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.716 2.278 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.551 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -47.7 131.09 14.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.59 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 110.76 -32.4 6.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.529 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.575 ' O ' HD22 ' A' ' 32' ' ' LEU . 15.5 m -49.22 122.32 5.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.784 ' HB3' HD22 ' A' ' 105' ' ' LEU . 32.5 p90 -115.9 164.76 13.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.969 HD12 HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -168.17 163.01 13.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.84 ' N ' HD22 ' A' ' 41' ' ' LEU . 93.7 mt -134.11 158.47 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.528 ' N ' HG22 ' A' ' 42' ' ' ILE . 9.6 ptt85 -149.5 112.14 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.6 t -39.01 112.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.5 p -72.3 165.55 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.786 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -127.95 -35.43 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 t -58.28 -66.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -102.48 143.49 32.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.637 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.3 p -61.7 94.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 166.92 -137.01 4.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 19.1 m-85 -146.26 -177.62 5.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.933 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.9 m -142.73 119.31 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -99.98 132.67 45.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.484 ' HB3' HD11 ' A' ' 41' ' ' LEU . 2.5 t -136.08 153.2 51.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.67 ' CE2' ' CE2' ' A' ' 64' ' ' PHE . 7.7 p90 -164.29 146.59 8.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -62.79 129.57 41.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.509 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -122.19 138.7 54.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.508 ' N ' HD21 ' A' ' 37' ' ' LEU . 22.7 mt-30 -34.46 -42.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.8 m -71.09 -69.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.2 m -174.64 161.59 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 60' ' ' SER . 26.4 p -34.62 135.9 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.2 m -130.17 145.56 51.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.65 ' CE1' ' CD ' ' A' ' 29' ' ' GLU . 87.8 m-70 -119.04 139.6 51.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 109.57 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.786 ' CD1' HG21 ' A' ' 98' ' ' ILE . 41.5 m-85 -133.87 100.43 4.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.9 ptm -68.34 140.24 55.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.7 t -121.15 104.38 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -71.33 169.71 14.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 tt -118.16 105.62 11.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.699 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.4 mm? -60.72 165.94 3.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -75.05 -20.27 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.76 13.32 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.67 18.61 77.4 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.7 p -109.32 178.38 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.148 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 14.5 m-85 -132.8 137.9 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.699 ' HB3' HD21 ' A' ' 69' ' ' LEU . 2.7 ttt -150.3 133.4 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.435 ' CD1' ' NE2' ' A' ' 93' ' ' HIS . 23.4 mt -75.47 132.44 75.68 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.588 0.709 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 82.59 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.96 -17.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 99' ' ' GLU . 6.3 mm-40 -99.75 -175.34 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.952 0.406 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -123.24 21.15 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.42 153.17 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -124.81 -174.87 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.521 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 7.0 m80 -159.99 142.31 13.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 74.9 p -50.26 -52.45 36.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.564 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 68.4 m -141.53 171.68 13.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.547 ' HA ' HD23 ' A' ' 89' ' ' LEU . 4.6 mt -54.12 -49.3 69.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -52.07 -20.22 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.63 -13.28 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -96.17 -20.35 18.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.658 HG11 ' CE2' ' A' ' 40' ' ' PHE . 65.5 t -79.21 -44.17 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 40.1 m -57.81 -44.83 86.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 24.9 t80 -65.31 -28.51 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.435 ' NE2' ' CD1' ' A' ' 76' ' ' ILE . 2.7 m-70 -68.81 -23.78 64.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.27 -18.98 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.66 -27.44 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 7.9 mmmt -123.96 118.51 26.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.26 2.79 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.786 HG21 ' CD1' ' A' ' 64' ' ' PHE . 2.1 mm -90.17 150.15 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.532 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -43.86 -58.44 4.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.663 0.744 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.76 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.82 -48.22 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.634 2.223 . . . . 0.0 112.328 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -100.52 111.88 24.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.44 ' CD ' ' H ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -77.82 7.03 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -79.13 146.23 33.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.4 mt -104.74 176.42 5.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.784 HD22 ' HB3' ' A' ' 40' ' ' PHE . 46.1 mt -103.14 165.68 10.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.59 HG23 ' HA3' ' A' ' 38' ' ' GLY . 1.6 p -127.24 -58.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.432 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.9 pt20 -151.48 152.9 31.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.663 0.744 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 143.91 52.62 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.658 2.239 . . . . 0.0 112.38 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 34.2 t -75.81 163.06 27.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -117.54 142.1 47.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -66.67 153.01 44.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.699 ' HG3' HD21 ' A' ' 31' ' ' LEU . 6.3 mtpm? -67.95 87.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -167.85 113.03 0.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 m -47.61 -50.27 24.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.03 151.72 20.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.56 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -33.26 16.86 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.625 2.217 . . . . 0.0 112.375 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -63.08 152.94 35.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 t -125.33 152.24 44.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.23 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -163.73 132.34 3.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 p -157.35 161.9 39.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.771 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.62 66.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -94.66 -54.99 3.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.358 . . . . 0.0 110.811 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.3 m -109.44 150.25 28.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.03 159.19 9.03 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.473 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -132.21 173.53 20.68 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -76.78 136.54 39.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.815 0.34 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -136.18 115.79 12.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.63 159.32 17.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -93.0 123.1 36.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.5 p30 -131.37 105.62 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.31 39.45 82.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 16' ' ' PRO . 85.8 t -140.66 138.72 18.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.82 -179.55 3.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.388 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' OE1' ' NE ' ' A' ' 110' ' ' ARG . 6.2 pt-20 -90.58 -28.23 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 56.3 p-90 -74.22 -4.79 38.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -101.68 100.47 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.407 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 4.0 m-70 -99.33 41.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 42.71 -127.0 4.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.529 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -112.79 115.55 28.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.726 0.298 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CG1' ' HD2' ' A' ' 43' ' ' ARG . 6.1 pt -125.29 -177.61 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASP . 12.9 p -100.92 148.48 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -44.35 -29.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.48 -33.21 48.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' SER . 61.4 m-20 -68.62 -53.53 22.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.538 ' HB2' ' HD3' ' A' ' 43' ' ' ARG . . . -48.05 -51.45 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -62.83 -40.32 97.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -67.73 -23.08 65.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mt -78.92 -31.72 45.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.704 HD11 HD12 ' A' ' 41' ' ' LEU . 20.0 mt -93.43 -24.39 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.519 ' CG ' ' N ' ' A' ' 34' ' ' SER . 3.8 pt-20 -54.71 -48.67 72.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.519 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 48.9 m -79.62 1.91 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -106.31 152.42 40.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.669 0.747 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.7 59.48 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.644 2.229 . . . . 0.0 112.356 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.794 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -51.92 131.41 31.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.538 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 112.52 -32.28 6.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.574 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' HD22 ' A' ' 32' ' ' LEU . 4.6 m -51.14 119.38 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.629 ' HB3' HD22 ' A' ' 105' ' ' LEU . 29.6 p90 -112.08 159.22 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.903 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -162.13 136.92 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.707 HD13 HD22 ' A' ' 86' ' ' LEU . 54.6 mt -106.86 151.09 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.097 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.538 ' HD3' ' HB2' ' A' ' 28' ' ' ALA . 8.7 mtm180 -137.42 172.93 12.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 t -90.3 112.86 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -73.6 119.14 17.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -79.52 -45.53 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.7 t -49.17 -43.89 42.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 9.8 p-80 -140.12 126.34 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 49' ' ' VAL . 4.3 p -49.98 111.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.57 -128.05 1.56 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.619 ' CD2' HD11 ' A' ' 86' ' ' LEU . 71.3 m-85 -154.35 163.54 39.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.2 m -129.24 111.64 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.217 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.649 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.9 tm? -85.4 127.27 34.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -141.47 159.15 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.62 ' CD2' HD21 ' A' ' 105' ' ' LEU . 26.3 p90 -172.19 147.98 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -61.88 126.95 29.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.794 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -115.63 147.58 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.461 ' N ' HD21 ' A' ' 37' ' ' LEU . 21.2 mm-40 -45.75 -36.34 5.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -83.8 -66.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -165.12 155.18 13.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.1 t -44.09 142.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -118.5 162.06 18.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -147.97 109.21 4.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.545 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.787 ' CD2' HG21 ' A' ' 98' ' ' ILE . 11.7 m-85 -110.46 124.86 52.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.4 ptm -74.71 148.19 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.9 t -131.05 116.43 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 4.7 mtmp? -84.06 161.86 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.99 86.31 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 69' ' ' LEU . 1.8 mm? -44.23 161.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -74.91 -20.38 59.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.21 6.26 8.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.49 76.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.459 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.2 p -107.96 -177.69 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 85' ' ' SER . 9.9 m-85 -141.43 125.07 16.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.445 ' HB3' HD21 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -142.34 137.47 30.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 77' ' ' PRO . 79.2 mt -78.19 138.35 60.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.673 0.749 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.75 81.71 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.709 2.273 . . . . 0.0 112.259 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.94 -20.4 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -89.35 -178.28 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 18.83 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.25 157.37 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -128.29 -176.71 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.06 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 9.8 m80 -151.18 151.93 32.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.6 p -62.18 -44.57 96.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.512 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 3.9 m -149.93 164.47 35.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.707 HD22 HD13 ' A' ' 42' ' ' ILE . 77.9 mt -42.0 -50.89 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.14 -59.7 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.83 -4.82 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.513 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -98.29 -27.59 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.55 HG11 ' CZ ' ' A' ' 40' ' ' PHE . 88.5 t -79.54 -39.25 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.7 m -63.82 -46.71 83.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -65.25 -25.75 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.461 ' CE1' ' HG ' ' A' ' 89' ' ' LEU . 16.6 m170 -72.18 -43.7 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.811 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -49.04 -19.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -112.33 -26.26 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -124.38 110.77 28.41 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.59 0.709 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.812 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.0 Cg_endo -69.81 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.787 HG21 ' CD2' ' A' ' 64' ' ' PHE . 1.8 mm -92.22 139.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.531 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.9 tt0 -34.78 -58.5 0.68 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.706 0.765 . . . . 0.0 110.923 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.768 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.77 -46.81 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.375 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 61.5 mmt-85 -102.99 112.79 25.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -10.53 59.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.75 142.24 41.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.812 HD21 ' HD3' ' A' ' 97' ' ' PRO . 15.8 mt -108.3 -179.04 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' A' ' 40' ' ' PHE . 37.4 mt -107.03 165.04 11.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.51 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.1 p -128.53 -58.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.433 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.1 pt20 -148.93 152.34 36.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.525 0.679 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.443 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.2 Cg_endo -69.69 145.95 59.16 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 42.9 t -79.68 162.23 25.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.407 ' NE ' ' OE1' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -119.08 132.76 56.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -56.87 145.84 28.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -52.5 131.82 34.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -173.88 135.93 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.5 p -88.77 82.54 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 75.27 144.61 1.17 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 105.84 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.644 2.23 . . . . 0.0 112.366 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.3 p -72.34 150.12 43.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.3 m -78.07 88.11 4.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 p 37.51 42.36 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.948 0.404 . . . . 0.0 110.894 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -53.95 175.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.03 162.15 24.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -161.32 131.67 5.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.392 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -159.13 154.73 26.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.98 169.93 11.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.67 128.46 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.542 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -122.0 153.18 38.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.925 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mp -92.25 44.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.53 149.33 42.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.79 140.68 48.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -173.8 132.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.39 37.55 2.42 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.451 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.72 130.21 23.89 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.659 0.742 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 18' ' ' TRP . 53.1 Cg_endo -69.79 170.74 15.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.72 -39.87 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.504 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 65.2 p-90 -59.27 -11.54 4.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -100.02 105.76 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 111' ' ' GLN . 35.0 m80 -104.84 39.5 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.91 -118.59 2.74 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.475 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.43 104.35 11.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 0.0 111.06 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 pt -113.32 175.79 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -98.15 145.68 26.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.782 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -42.77 -32.89 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.77 -41.23 60.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.67 -56.99 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.08 -58.33 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -55.43 -44.01 75.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -70.18 -22.17 62.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mt -77.38 -31.68 54.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 HD12 ' A' ' 41' ' ' LEU . 20.5 mt -93.52 -24.79 17.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.2 pt-20 -56.46 -46.27 80.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.475 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 50.7 m -85.07 11.75 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -111.28 157.79 37.96 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 151.96 69.26 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.742 2.295 . . . . 0.0 112.302 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -51.96 130.58 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.566 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 107.95 -19.33 32.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.529 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -58.22 123.34 15.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 105' ' ' LEU . 34.9 p90 -117.3 150.68 38.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.91 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -160.49 142.9 12.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.584 ' N ' HD22 ' A' ' 41' ' ' LEU . 55.5 mt -114.03 158.5 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.515 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -151.05 140.68 21.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -55.65 122.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.2 m -75.01 164.26 26.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -125.37 -47.87 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.0 t -54.26 -58.7 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -115.28 142.79 46.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.82 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 p -62.78 123.77 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.608 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 142.69 -128.98 3.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.777 ' CD2' HD11 ' A' ' 86' ' ' LEU . 31.2 m-85 -155.33 169.64 23.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.926 0.393 . . . . 0.0 110.926 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.6 m -135.66 117.54 15.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 93' ' ' HIS . 12.9 tp -86.38 134.53 33.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -139.25 156.3 47.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -171.03 150.74 3.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -68.02 132.43 47.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.998 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -123.25 141.47 51.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' ALA . 12.6 mt-30 -35.79 -39.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.8 m -78.7 -62.91 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.9 p -173.6 164.58 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 72.9 m -52.23 130.14 29.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 t -114.98 158.82 21.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.493 ' ND1' ' NH2' ' A' ' 43' ' ' ARG . 81.5 m-70 -132.32 138.89 47.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.849 ' CE1' HG21 ' A' ' 98' ' ' ILE . 60.1 m-85 -134.2 127.8 32.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.5 ptm -86.96 136.08 33.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 76' ' ' ILE . 57.5 t -119.94 108.64 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -76.22 158.26 31.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 tt -104.02 102.65 12.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.747 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.1 mm? -54.44 162.87 1.0 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -71.79 -25.75 62.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -76.21 6.82 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.18 16.65 76.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.532 HG22 ' HA ' ' A' ' 84' ' ' THR . 71.2 p -108.5 -179.63 3.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 111.145 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.518 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 21.1 m-85 -131.87 131.51 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.747 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.7 ttt -139.93 126.88 20.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 66' ' ' VAL . 89.5 mt -72.61 131.63 84.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.719 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 83.49 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.766 2.31 . . . . 0.0 112.307 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.71 -15.01 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.43 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 99' ' ' GLU . 7.9 mm-40 -101.14 -175.0 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.373 . . . . 0.0 110.888 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.23 19.48 9.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.72 156.41 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.499 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -126.15 -174.89 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 8.7 m-70 -159.66 136.12 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.532 ' HA ' HG22 ' A' ' 73' ' ' THR . 50.6 p -44.42 -49.42 9.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.171 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.475 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 5.9 m -149.67 171.57 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.777 HD11 ' CD2' ' A' ' 51' ' ' TYR . 34.6 mt -45.62 -46.03 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -57.85 5.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.94 -6.53 39.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.649 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -100.28 -20.89 15.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.528 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 60.0 t -81.28 -42.43 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.3 m -65.68 -46.35 79.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -62.63 -29.48 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.442 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.9 m-70 -71.38 -29.46 64.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -64.74 -15.82 62.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -115.25 -27.7 7.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -124.65 108.33 28.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.581 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.7 Cg_endo -69.78 179.28 3.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.64 2.226 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.849 HG21 ' CE1' ' A' ' 64' ' ' PHE . 1.9 mm -80.86 149.17 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.6 tt0 -42.0 -58.61 3.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.651 0.738 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.761 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.82 -51.19 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.753 2.302 . . . . 0.0 112.3 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -93.81 114.27 26.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -17.64 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.79 142.87 17.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.581 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.8 mt -108.11 175.63 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 40' ' ' PHE . 31.5 mt -98.13 159.33 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.56 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.2 p -122.84 -57.77 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.423 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.6 pt20 -151.19 151.29 29.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.3 50.46 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.2 t -76.81 161.32 28.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -116.99 136.99 52.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.423 ' HA ' ' CD2' ' A' ' 20' ' ' HIS . 1.9 pt20 -58.03 150.05 21.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -48.36 147.07 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -68.6 84.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.8 m -159.37 123.32 3.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -75.11 146.08 34.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -178.5 2.35 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 m -158.91 110.94 2.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.8 p -39.02 -55.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.794 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -83.85 -49.99 8.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 m -69.26 -54.98 11.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.816 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.93 47.05 20.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.434 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 t -168.66 149.79 4.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.944 0.402 . . . . 0.0 110.807 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -160.72 112.41 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.812 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.5 142.77 10.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.91 143.53 17.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -115.74 39.85 2.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.342 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.25 37.08 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -109.49 146.3 34.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -125.58 137.57 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -146.67 121.68 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.22 30.08 11.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.61 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.3 p -139.24 138.02 20.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.638 0.732 . . . . 0.0 111.101 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.2 Cg_endo -69.81 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.46 -27.36 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.519 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 61.0 p-90 -73.45 -12.45 60.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -97.14 105.06 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.567 ' CE1' HD22 ' A' ' 31' ' ' LEU . 10.3 m-70 -101.61 34.7 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 53.92 -130.29 43.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -105.72 99.48 9.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 0.0 111.109 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.446 HD11 ' HB3' ' A' ' 43' ' ' ARG . 22.3 pt -111.59 177.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' ASP . 57.7 m -107.28 147.45 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.82 -45.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.1 -43.81 98.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' SER . 91.0 m-20 -58.25 -58.15 9.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.55 -53.29 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -58.23 -38.38 76.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -72.24 -27.93 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 20' ' ' HIS . 4.8 mt -72.94 -28.87 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.702 HD21 HD12 ' A' ' 41' ' ' LEU . 22.9 mt -93.46 -31.01 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.959 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.8 pt-20 -46.29 -44.46 16.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 26.2 m -94.08 32.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -131.08 156.25 80.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 153.55 69.1 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.589 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -55.74 124.53 17.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.62 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 112.17 -9.35 26.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -66.65 119.28 11.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.98 0.419 . . . . 0.0 110.826 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.77 ' CE1' HG11 ' A' ' 90' ' ' VAL . 19.1 p90 -107.34 152.41 24.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.912 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -161.6 141.23 10.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.747 HD13 HD22 ' A' ' 86' ' ' LEU . 56.3 mt -110.29 157.66 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.506 ' N ' HG22 ' A' ' 42' ' ' ILE . 4.5 ptm180 -143.47 136.43 27.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.3 91.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.0 t -54.31 153.43 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -121.13 -37.68 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.7 m -48.47 -68.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -107.45 161.97 14.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 p -70.14 111.62 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.67 -133.06 4.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.422 ' CD2' HD11 ' A' ' 86' ' ' LEU . 51.1 m-85 -144.53 -175.26 4.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.012 0.434 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 64' ' ' PHE . 96.4 m -145.63 110.05 5.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -86.69 143.54 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 m -151.74 162.89 40.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -167.55 148.35 5.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -70.73 118.16 13.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.927 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -105.95 160.06 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ALA . 5.7 mm-40 -36.53 93.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' ALA . 2.0 t 47.64 47.99 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.927 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.9 p -175.73 117.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.789 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.5 t -91.97 145.92 24.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.72 161.23 30.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -142.07 105.84 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.532 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.727 ' O ' HG23 ' A' ' 52' ' ' THR . 28.3 m-85 -92.36 156.52 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.5 ptm -110.38 140.96 44.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 61.3 t -124.24 122.97 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 166.51 13.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -112.4 89.94 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.2 mm? -45.25 170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.01 -23.25 48.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -80.47 9.36 6.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.38 19.92 77.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.2 p -108.67 176.61 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.472 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 19.8 m-85 -130.66 135.3 47.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.645 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.5 tpt -147.77 141.06 25.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 77' ' ' PRO . 24.2 mt -91.14 138.47 25.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 111.092 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.69 82.72 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 163.95 -28.13 0.22 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.5 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -85.51 -177.47 6.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -121.69 1.74 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.54 148.87 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.4 -177.37 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 13.7 m80 -147.79 165.06 31.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 72.4 p -75.67 -43.64 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.438 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 56.4 m -151.12 163.09 39.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.747 HD22 HD13 ' A' ' 42' ' ' ILE . 44.1 mt -42.33 -49.41 5.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -47.97 -54.09 13.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.83 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.82 -9.79 59.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.63 -20.58 17.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.77 HG11 ' CE1' ' A' ' 40' ' ' PHE . 81.3 t -83.2 -38.57 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.2 m -62.38 -46.57 88.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -65.56 -32.18 73.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -67.21 -32.93 74.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -62.5 -19.06 63.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -111.41 -29.3 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -121.49 119.22 29.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.524 0.678 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.553 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.9 Cg_endo -69.75 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.788 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.7 mm -97.85 150.17 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.524 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.6 tt0 -42.07 -58.83 3.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.74 0.781 . . . . 0.0 110.979 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.788 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.8 Cg_endo -69.75 -54.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 101' ' ' ARG . 0.4 OUTLIER -94.22 120.55 34.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -83.27 -10.47 58.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.81 138.56 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.553 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.3 mt -102.95 -176.33 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 40' ' ' PHE . 11.7 mt -108.86 172.41 6.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.62 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.6 p -134.39 -53.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -154.92 151.94 24.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 142.84 48.94 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 51.5 t -77.55 161.83 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -113.24 154.2 27.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -66.36 155.09 38.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -58.95 86.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -163.96 161.12 22.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 t -130.39 -55.37 1.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.787 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 154.59 66.42 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 125.75 12.52 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.2 t -97.6 59.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.4 t -103.43 146.44 28.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.497 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -107.12 43.57 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.822 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 p -134.61 -63.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.26 -124.16 7.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -136.38 146.44 46.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.817 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 p -68.39 -3.32 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.68 -100.48 0.27 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.99 -103.79 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -110.53 86.67 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 mt -108.53 146.69 32.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.15 136.55 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -143.51 131.25 21.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -121.52 133.54 55.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.65 39.31 25.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 16' ' ' PRO . 87.3 t -135.02 138.64 29.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.651 0.739 . . . . 0.0 111.167 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.5 Cg_endo -69.78 -163.81 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.397 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.2 pt-20 -101.28 -29.34 12.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -73.52 -10.7 59.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -98.87 92.38 5.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.593 ' CE1' HD22 ' A' ' 31' ' ' LEU . 23.9 m-70 -86.48 25.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.42 -117.79 10.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.79 85.88 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.6 pt -97.84 178.67 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 m -105.07 169.33 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -55.73 -55.27 34.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 17.9 pm0 -57.45 -30.18 64.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.473 ' N ' ' HG2' ' A' ' 26' ' ' GLU . 8.0 m-20 -73.18 -50.99 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.16 -51.16 67.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.17 -35.74 76.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -72.92 -24.67 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.795 HD21 ' HD2' ' A' ' 112' ' ' LYS . 4.8 mt -76.82 -25.81 53.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.773 HD11 HD12 ' A' ' 41' ' ' LEU . 25.5 mt -99.32 -25.92 14.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.979 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.4 pt-20 -51.96 -47.08 64.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 16.4 m -84.79 12.81 6.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -114.42 153.41 46.57 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.74 69.51 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.63 2.22 . . . . 0.0 112.403 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -50.17 126.76 15.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.949 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.613 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 115.79 -25.39 9.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.492 ' O ' HD22 ' A' ' 32' ' ' LEU . 30.7 m -56.85 119.63 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.86 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.622 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 25.2 p90 -108.97 157.24 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.816 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.69 150.32 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.663 ' N ' HD22 ' A' ' 41' ' ' LEU . 14.7 mt -120.86 157.02 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.502 ' N ' HG22 ' A' ' 42' ' ' ILE . 10.3 ptt85 -147.48 117.24 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' ARG . 47.5 t -37.28 133.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -94.32 158.52 15.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 47' ' ' SER . 29.9 m170 -122.59 -62.26 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 46' ' ' HIS . 12.2 t -35.04 -45.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -131.14 143.01 50.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 49' ' ' VAL . 8.6 p -62.49 119.47 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.556 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 149.57 -124.44 1.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 59.1 m-85 -161.89 -177.1 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.931 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 64' ' ' PHE . 95.3 m -142.96 118.41 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.781 HD13 ' C ' ' A' ' 53' ' ' LEU . 0.8 OUTLIER -94.49 132.34 39.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.629 ' N ' HD22 ' A' ' 53' ' ' LEU . 3.1 m -140.53 156.55 46.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.523 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 53.8 p90 -168.73 147.08 4.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -62.18 131.5 49.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.548 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -122.27 144.73 48.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.444 ' N ' HD21 ' A' ' 37' ' ' LEU . 7.0 mt-30 -37.58 -45.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -74.03 -63.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m -170.44 161.53 7.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.425 ' SG ' HD12 ' A' ' 32' ' ' LEU . 2.8 t -44.04 144.22 0.97 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 55' ' ' TYR . 29.6 p -118.33 146.02 44.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -125.89 112.78 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.575 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.783 ' O ' HG23 ' A' ' 52' ' ' THR . 53.3 m-85 -117.7 149.45 40.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.9 ptm -109.02 145.23 35.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.2 t -121.45 118.91 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -85.59 165.5 17.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.457 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -109.0 106.05 15.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.528 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.6 mm? -63.27 157.73 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.92 -23.83 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -74.0 -5.85 43.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.72 12.41 55.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.538 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.473 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 30.9 p -104.76 -178.84 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.857 0.361 . . . . 0.0 111.085 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -141.8 126.85 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.4 ptm -142.28 157.99 44.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.659 HG23 ' HD2' ' A' ' 77' ' ' PRO . 22.8 mt -88.8 138.28 29.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.1 Cg_endo -69.76 90.8 0.51 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.742 2.295 . . . . 0.0 112.331 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.08 -21.16 0.76 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -90.68 -178.96 5.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.986 0.422 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.59 22.41 10.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.12 156.08 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.501 ' O ' ' CD2' ' A' ' 83' ' ' HIS . . . -126.32 -177.92 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 6.0 m80 -152.45 139.96 19.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.1 p -45.24 -48.98 12.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.578 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 5.8 m -153.43 174.29 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.8 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 90' ' ' VAL . 55.9 mt -46.51 -45.12 18.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -56.46 12.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.69 39.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.655 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -98.62 -19.3 17.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.971 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.622 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 79.0 t -84.47 -38.55 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.062 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.6 m -66.14 -51.03 61.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 36.5 t80 -56.96 -30.72 64.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.476 ' HB3' HD11 ' A' ' 105' ' ' LEU . 3.2 m-70 -66.76 -35.37 79.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -62.68 -11.28 16.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -121.54 -28.28 4.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -125.79 111.72 24.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.689 ' HD3' HD21 ' A' ' 104' ' ' LEU . 52.9 Cg_endo -69.73 -168.35 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.635 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -99.31 151.78 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.0 tt0 -41.74 -58.76 2.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.635 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.8 Cg_endo -69.79 -51.01 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.742 2.294 . . . . 0.0 112.308 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' ILE . 71.2 mmt-85 -96.22 117.56 31.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -14.42 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -54.48 144.94 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.689 HD21 ' HD3' ' A' ' 97' ' ' PRO . 14.4 mt -108.94 169.31 8.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 93' ' ' HIS . 10.2 mt -97.12 159.64 14.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.613 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.6 p -123.45 -54.48 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -150.94 152.74 32.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.558 0.694 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 144.39 53.79 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.608 2.205 . . . . 0.0 112.369 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 47.8 t -74.01 162.38 29.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 6.4 mmt180 -120.48 135.9 54.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 113' ' ' ASP . 10.6 mt-30 -51.15 151.39 2.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.795 ' HD2' HD21 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -42.13 95.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.936 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 111' ' ' GLN . 3.9 t70 -161.26 167.07 26.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.2 t -88.97 -56.52 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -178.57 90.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -28.77 24.8 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 2.236 . . . . 0.0 112.341 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.1 m -63.54 137.52 58.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 96.4 p -110.14 124.19 51.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -91.24 -47.96 7.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -75.01 130.79 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.04 105.57 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -85.49 132.03 34.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -142.36 117.34 9.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.782 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.51 -157.17 8.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.29 -124.85 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.442 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -149.64 146.68 27.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -70.44 178.12 3.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.84 145.97 43.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.104 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -85.91 90.65 8.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -173.03 115.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.52 30.59 58.05 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.462 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.606 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.1 p -142.25 137.75 15.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.605 0.717 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.8 172.37 12.8 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -82.13 -40.59 21.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.502 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 61.1 p-90 -57.79 -15.23 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -95.39 89.78 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -86.44 40.03 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.81 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 39.46 -102.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.657 ' HB1' ' NE2' ' A' ' 46' ' ' HIS . . . -131.35 90.13 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.711 0.291 . . . . 0.0 111.072 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.418 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 19.7 pt -99.93 174.29 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.8 p -100.99 139.69 36.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 14.1 ttm180 -34.63 -38.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.02 -52.16 51.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -57.36 -38.01 73.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.74 71.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.1 -36.61 82.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.34 -23.47 57.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mt -76.0 -28.97 58.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.722 HD22 ' O ' ' A' ' 39' ' ' SER . 46.4 mt -95.58 -28.83 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.2 pt-20 -50.44 -47.96 56.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 58.0 m -86.07 21.67 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -123.05 153.24 64.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 149.77 67.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -47.31 131.21 13.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.612 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 110.17 -27.32 11.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.722 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.2 m -52.37 106.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 110.822 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.665 ' HB3' HD22 ' A' ' 105' ' ' LEU . 32.8 p90 -97.18 160.45 14.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.823 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.803 HD22 ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -164.71 164.07 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.803 ' N ' HD22 ' A' ' 41' ' ' LEU . 30.4 mt -134.89 158.0 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.523 ' N ' HG22 ' A' ' 42' ' ' ILE . 6.2 ptm180 -150.86 109.78 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' ARG . 51.5 t -34.73 138.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -86.51 148.57 25.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.657 ' NE2' ' HB1' ' A' ' 22' ' ' ALA . 27.3 m-70 -120.62 -35.71 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.1 p -71.28 -25.83 62.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 4.2 p-80 -147.6 121.51 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.615 ' O ' HG13 ' A' ' 49' ' ' VAL . 9.3 p -41.81 108.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 154.89 -144.31 10.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.504 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 4.2 m-85 -141.89 -175.55 4.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 110.956 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.6 m -148.31 106.55 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.776 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.0 tm? -79.67 130.83 35.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.574 ' N ' HD13 ' A' ' 53' ' ' LEU . 2.9 m -141.42 159.65 41.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.482 ' CD2' HD21 ' A' ' 105' ' ' LEU . 30.0 p90 -173.68 153.4 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -69.1 126.45 29.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.535 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -118.62 143.26 46.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.495 ' N ' HD21 ' A' ' 37' ' ' LEU . 22.7 mm-40 -34.79 -47.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -68.67 -65.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m -174.64 154.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.9 t -42.55 140.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.39 175.61 5.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -150.75 105.12 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.574 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.833 ' CD2' HG21 ' A' ' 98' ' ' ILE . 24.4 m-85 -103.22 123.99 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.8 ptm -76.97 138.8 39.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.0 t -119.63 114.56 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -87.34 163.89 16.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.542 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 3.3 tt -109.98 102.68 11.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.687 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.9 mm? -51.93 -177.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -91.1 -19.68 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -86.69 26.79 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.33 20.98 61.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.4 p -111.35 -175.46 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.542 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 30.7 m-85 -136.43 145.55 45.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.662 ' HB3' HD21 ' A' ' 69' ' ' LEU . 6.9 ttt -156.0 136.39 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.678 HG23 ' HD2' ' A' ' 77' ' ' PRO . 69.6 mt -79.61 138.92 54.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.682 0.753 . . . . 0.0 111.065 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.678 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.83 84.3 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.28 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.66 -18.6 1.13 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -84.49 -178.11 6.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.67 18.65 8.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.483 HG21 ' CE1' ' A' ' 92' ' ' PHE . 3.4 m -146.75 159.54 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.481 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -128.81 -175.45 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.494 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 14.7 m-70 -159.65 156.25 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.845 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.2 p -65.32 -52.82 51.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.6 m -138.9 177.13 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.779 HD12 ' CD1' ' A' ' 42' ' ' ILE . 2.8 mm? -52.69 -49.6 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.51 -57.2 4.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.36 -7.63 48.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.526 HD22 ' CD1' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -100.49 -18.98 16.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 86' ' ' LEU . 76.9 t -87.01 -46.7 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.4 m -54.64 -37.69 65.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.483 ' CE1' HG21 ' A' ' 81' ' ' VAL . 35.8 t80 -73.01 -31.41 64.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -66.91 -30.28 70.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -66.93 -14.21 62.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -116.15 -25.64 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -125.94 116.23 24.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.784 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.4 Cg_endo -69.81 -168.12 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.833 HG21 ' CD2' ' A' ' 64' ' ' PHE . 1.7 mm -98.34 141.24 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.8 tt0 -36.68 -58.68 1.0 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.745 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.1 Cg_endo -69.72 -46.86 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.734 2.289 . . . . 0.0 112.326 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' ILE . 28.2 mmt180 -103.13 114.64 29.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.85 17.75 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -84.78 134.02 34.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.784 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.7 mt -97.51 179.43 4.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' A' ' 40' ' ' PHE . 21.1 mt -107.9 169.75 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.981 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.612 HG23 ' HA3' ' A' ' 38' ' ' GLY . 9.1 p -131.61 -59.33 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.402 ' N ' ' OG1' ' A' ' 106' ' ' THR . 12.1 pt20 -146.46 152.83 46.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.28 50.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 41.1 t -79.74 158.49 26.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -115.95 136.25 53.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.01 155.37 20.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -58.64 170.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -81.11 142.41 33.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.0 m -111.35 98.65 7.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.4 -157.23 6.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -174.27 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.662 2.241 . . . . 0.0 112.359 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.4 p -111.71 -44.18 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.7 p -171.57 136.6 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p 37.92 42.15 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.912 0.387 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 t -61.2 112.81 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.53 103.18 0.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 t -145.11 120.55 10.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -155.06 149.4 26.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.03 121.49 1.37 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.05 106.4 0.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.444 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -118.24 160.61 21.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.29 107.27 19.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.79 159.85 12.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -59.63 105.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.52 140.14 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.94 42.84 0.65 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.416 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 5.7 p -134.61 134.59 22.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.649 0.738 . . . . 0.0 111.163 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.536 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.85 179.63 3.61 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.0 pt-20 -82.74 -41.95 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.827 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.615 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 62.7 p-90 -58.54 -17.13 18.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CE1' ' HA2' ' A' ' 21' ' ' GLY . 44.0 t80 -95.15 95.73 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.465 ' O ' HG23 ' A' ' 23' ' ' ILE . 12.6 m-70 -89.95 37.71 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.539 ' HA2' ' CE1' ' A' ' 19' ' ' PHE . . . 46.03 -112.97 0.92 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.29 97.65 5.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.727 0.298 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 20' ' ' HIS . 31.0 pt -105.61 173.22 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.162 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.405 ' CB ' ' OE2' ' A' ' 26' ' ' GLU . 2.0 m -97.98 160.97 13.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -54.0 -44.61 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 8.6 pm0 -67.04 -30.31 70.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' N ' ' HG2' ' A' ' 26' ' ' GLU . 94.0 m-20 -67.91 -65.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -37.69 -50.3 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -60.57 -40.71 92.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' ASP . 16.5 m-20 -72.96 -24.68 60.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.24 -27.96 59.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.993 HD21 HD12 ' A' ' 41' ' ' LEU . 44.7 mt -97.1 -29.15 13.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.7 pt-20 -50.43 -48.65 56.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.2 t -85.61 24.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -126.8 153.88 75.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 149.29 66.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.656 2.238 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.604 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -46.66 135.03 9.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 106.81 -30.63 9.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 m -46.86 121.0 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.99 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.0 p90 -111.94 161.02 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.993 HD12 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -165.64 150.89 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.723 HD13 HD12 ' A' ' 86' ' ' LEU . 21.3 mt -121.09 141.83 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.426 ' CB ' HG12 ' A' ' 23' ' ' ILE . 19.2 ptt85 -135.08 115.89 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' ARG . 72.8 t -37.49 119.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.7 t -72.76 148.25 44.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -117.42 -41.42 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.0 m -56.25 -64.57 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -108.61 143.85 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.635 ' O ' HG13 ' A' ' 49' ' ' VAL . 13.6 p -57.37 109.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.92 -151.95 23.95 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -127.06 168.02 15.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.6 m -132.62 106.55 7.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -83.52 145.74 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.8 m -150.66 161.74 42.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE2' ' CE1' ' A' ' 64' ' ' PHE . 6.4 p90 -174.4 147.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -64.0 129.06 38.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.517 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -119.85 141.96 49.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.449 ' N ' HD21 ' A' ' 37' ' ' LEU . 19.0 mt-30 -34.26 -44.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 t -73.66 -63.14 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -173.08 163.85 4.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.808 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.5 t -43.08 142.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.8 m -119.2 154.84 32.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -135.81 106.28 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.383 1.052 . . . . 0.0 109.572 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE2' HG13 ' A' ' 98' ' ' ILE . 38.5 m-85 -102.32 139.19 38.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.4 ptm -91.75 134.33 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.7 t -115.67 99.57 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -69.39 160.38 31.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.7 tm? -114.24 115.23 27.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.577 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.1 mm? -75.99 156.33 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.87 -7.78 43.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -91.9 13.03 19.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.99 19.75 78.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.559 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.422 ' O ' HD22 ' A' ' 68' ' ' LEU . 76.5 p -109.76 177.23 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.777 0.322 . . . . 0.0 111.183 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.481 ' CD1' HD23 ' A' ' 68' ' ' LEU . 8.7 m-85 -136.44 126.85 26.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.482 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.7 tpt -138.25 144.68 40.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 77' ' ' PRO . 41.2 mt -94.7 138.53 22.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.4 Cg_endo -69.74 79.91 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 167.62 -36.79 0.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.25 -175.38 2.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -123.79 7.8 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.28 147.64 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.71 -175.42 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 30.9 m-70 -151.13 155.96 40.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 56.1 p -72.89 -37.85 67.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.5 m -153.82 159.81 41.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.723 HD12 HD13 ' A' ' 42' ' ' ILE . 3.2 mm? -39.71 -52.07 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -44.74 -55.14 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.66 -11.42 60.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.573 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.72 -20.29 18.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.614 HG11 ' CE1' ' A' ' 40' ' ' PHE . 99.3 t -85.53 -49.8 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.3 m -54.48 -47.19 73.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -61.69 -41.34 97.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.9 m-70 -58.96 -42.19 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -47.8 -20.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -111.1 -28.07 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.89 117.36 29.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.514 0.673 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.3 Cg_endo -69.77 -174.32 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.785 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.2 mm -95.04 141.05 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.083 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.0 OUTLIER -36.3 -58.37 0.98 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.672 0.749 . . . . 0.0 110.902 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.2 Cg_endo -69.77 -49.94 0.51 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.599 2.2 . . . . 0.0 112.373 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -100.49 114.89 28.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -5.63 50.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -62.63 138.65 58.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.483 HD21 ' HD3' ' A' ' 97' ' ' PRO . 11.3 mt -104.67 168.47 9.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.99 HD22 ' HB3' ' A' ' 40' ' ' PHE . 35.5 mt -93.72 163.93 13.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.561 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.9 p -130.83 -57.78 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.409 ' N ' ' OG1' ' A' ' 106' ' ' THR . 10.1 pt20 -149.04 151.64 34.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.429 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.1 Cg_endo -69.71 143.45 51.13 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.748 2.299 . . . . 0.0 112.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 9.0 t -76.89 167.98 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.487 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 8.5 mmt180 -124.8 137.61 54.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -51.65 169.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -85.85 142.28 29.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -66.33 149.92 49.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.2 m -106.89 -58.6 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.31 91.64 1.01 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.378 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 107.29 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -65.7 159.06 25.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.3 p -141.94 177.41 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.232 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -124.98 83.3 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.954 0.407 . . . . 0.0 110.904 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -133.54 168.61 18.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.67 96.13 0.15 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -102.5 -43.24 5.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.388 . . . . 0.0 110.907 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -87.9 -47.47 8.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.97 117.81 10.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 131.66 -85.06 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.554 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -167.33 159.0 12.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.554 HD12 ' C ' ' A' ' 9' ' ' GLN . 6.3 mp -140.17 166.89 23.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.29 -32.22 8.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.04 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -107.4 81.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -161.53 165.88 27.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.13 51.51 0.12 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.541 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' HD2' ' A' ' 16' ' ' PRO . 14.5 p -143.34 136.77 14.11 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.712 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.514 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.3 Cg_endo -69.82 178.46 4.59 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.626 2.217 . . . . 0.0 112.374 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -90.49 -27.58 19.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.482 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 61.2 p-90 -73.11 -5.27 38.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 81.6 t80 -102.4 102.58 12.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.489 ' HE1' HD22 ' A' ' 31' ' ' LEU . 29.0 m-70 -96.11 39.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.49 ' HA2' ' CE2' ' A' ' 19' ' ' PHE . . . 40.25 -104.71 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.09 94.83 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.405 HG12 ' CB ' ' A' ' 43' ' ' ARG . 19.0 pt -103.65 175.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' GLU . 18.8 m -99.53 145.6 27.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' NH1' ' OE2' ' A' ' 29' ' ' GLU . 3.0 tmm_? -39.63 -29.27 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' SER . 8.9 mt-10 -79.22 -49.93 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -51.47 -45.15 62.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -57.61 -54.16 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 25' ' ' ARG . 18.8 mt-10 -60.6 -38.75 85.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -73.99 -25.34 59.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.489 HD22 ' HE1' ' A' ' 20' ' ' HIS . 5.1 mt -74.27 -27.35 60.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.64 HD11 ' CD1' ' A' ' 41' ' ' LEU . 25.3 mt -97.8 -28.47 13.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 34' ' ' SER . 8.1 pt-20 -51.98 -44.93 64.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 17.8 m -88.19 18.19 4.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -117.36 156.53 48.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 149.76 66.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -49.67 130.26 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.625 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 108.51 -23.3 24.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.49 ' O ' HD22 ' A' ' 32' ' ' LEU . 22.2 m -56.13 119.41 5.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.766 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.4 p90 -108.21 168.33 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.737 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -170.59 162.35 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.694 ' N ' HD22 ' A' ' 41' ' ' LEU . 11.4 mt -132.57 147.31 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 44' ' ' VAL . 18.4 ptt85 -139.82 115.48 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' ARG . 53.0 t -33.94 139.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 t -124.86 130.34 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -95.05 -16.73 22.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 t -52.0 -62.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 50' ' ' GLY . 17.5 p-80 -114.15 43.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.4 p 34.39 32.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.234 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.602 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -123.1 -127.39 3.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 21.5 m-85 -152.61 162.64 40.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.8 m -124.61 110.8 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 tp -90.56 129.13 36.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.1 m -138.49 161.5 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.464 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 14.0 p90 -169.59 145.76 3.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -63.14 127.57 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -121.3 145.2 48.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 57' ' ' ALA . 20.8 mp0 -35.02 -43.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 t -74.62 -72.25 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -164.94 158.34 17.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.1 t -43.88 137.73 3.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.2 m -111.67 163.87 13.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -143.24 108.54 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.616 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.583 ' CD1' HG21 ' A' ' 98' ' ' ILE . 36.9 m-85 -110.6 135.57 51.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.6 ptm -91.39 141.04 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.7 t -123.8 108.08 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -75.55 169.56 17.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.564 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.7 tt -115.17 84.92 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.648 ' N ' HD23 ' A' ' 69' ' ' LEU . 2.0 mt -39.8 144.62 0.18 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.86 -15.94 60.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -86.05 24.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.74 23.43 67.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.574 ' OG1' HD12 ' A' ' 69' ' ' LEU . 75.4 p -121.93 168.19 12.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.087 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 7.0 m-85 -124.1 136.87 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.504 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.1 ttt -149.93 134.86 17.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.5 mt -77.29 132.08 70.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.651 0.738 . . . . 0.0 111.179 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 83.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.318 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.0 -17.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 99' ' ' GLU . 32.5 mm-40 -99.37 -175.97 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.977 0.418 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -121.54 20.44 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.22 157.01 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' O ' ' CD2' ' A' ' 83' ' ' HIS . . . -129.38 -177.4 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.514 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 6.5 m80 -155.05 150.51 27.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.2 p -58.6 -48.54 80.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.171 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.572 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 37.4 m -148.83 162.56 39.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.984 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.1 mp -39.17 -44.91 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -50.08 -61.29 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.67 -7.35 26.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.514 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.38 -22.93 16.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.954 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.984 HG23 ' O ' ' A' ' 86' ' ' LEU . 16.4 t -80.0 -46.65 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.0 m -60.49 -40.75 92.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -68.97 -26.06 64.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -73.0 -37.69 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -58.06 -19.23 30.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -110.43 -25.0 10.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -124.58 116.91 26.5 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -175.6 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.623 2.215 . . . . 0.0 112.332 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.729 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -93.13 142.6 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.3 tt0 -36.75 -58.51 1.04 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.729 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.82 -48.73 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.313 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -99.47 114.44 27.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -3.99 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.56 144.64 55.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 mt -107.16 175.19 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.766 HD22 ' HB3' ' A' ' 40' ' ' PHE . 13.2 mt -99.84 164.59 11.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.625 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.7 p -124.06 -55.12 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -153.17 152.5 27.98 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.625 0.726 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.59 54.5 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.9 t -76.84 166.28 23.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -122.12 131.7 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -54.51 172.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.409 ' HG3' HD21 ' A' ' 31' ' ' LEU . 44.9 mttm -85.06 34.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -119.83 -53.32 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.2 m -90.34 58.28 3.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.52 141.58 15.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 -31.52 20.48 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.593 2.195 . . . . 0.0 112.392 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.0 t -106.61 154.61 20.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.5 m -109.54 159.65 16.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -77.49 153.45 33.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -94.33 157.76 15.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.2 161.04 28.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -89.87 88.75 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.907 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -124.23 148.07 47.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.18 104.19 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.24 147.29 18.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.471 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -101.25 164.72 11.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mt -138.32 123.91 19.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.98 173.31 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.061 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -105.23 77.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -114.71 105.69 13.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.28 46.94 1.05 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.545 HG23 ' HD2' ' A' ' 16' ' ' PRO . 12.6 p -142.05 137.12 15.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.696 0.76 . . . . 0.0 111.1 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.545 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.4 Cg_endo -69.87 176.34 6.99 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.62 2.213 . . . . 0.0 112.345 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' OE2' ' NE ' ' A' ' 110' ' ' ARG . 5.5 pt-20 -88.22 -34.13 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.424 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 56.3 p-90 -69.37 -5.26 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -103.31 94.01 5.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -89.31 34.9 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 46.54 -110.81 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.468 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.37 99.04 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.446 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 12.8 pt -108.74 169.75 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.9 m -96.59 165.12 12.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -43.02 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.67 -37.69 82.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -49.91 69.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.27 -48.92 73.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -66.72 -39.73 88.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -72.22 -23.71 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.13 -28.57 57.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.795 HD21 HD12 ' A' ' 41' ' ' LEU . 33.5 mt -97.18 -27.53 14.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.595 ' HA ' ' HZ3' ' A' ' 56' ' ' LYS . 5.7 pt-20 -51.6 -49.71 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.4 t -85.38 25.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -124.77 154.72 70.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 149.61 66.71 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.688 2.259 . . . . 0.0 112.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -48.94 130.81 18.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.566 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 109.48 -22.41 24.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.502 ' O ' HD22 ' A' ' 32' ' ' LEU . 19.4 m -57.47 120.15 7.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.384 . . . . 0.0 110.851 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.752 ' HB3' HD22 ' A' ' 105' ' ' LEU . 44.6 p90 -111.87 164.42 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.835 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -167.14 155.43 9.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.653 HG21 ' CD2' ' A' ' 86' ' ' LEU . 57.7 mt -125.58 142.95 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 15.6 ptt85 -132.73 114.44 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' ARG . 94.4 t -35.3 130.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -113.92 91.62 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -65.61 -25.12 67.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.776 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -46.62 -67.01 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 49' ' ' VAL . 2.1 p-80 -101.78 43.65 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.2 p 32.56 37.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -134.95 -131.9 3.11 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.617 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 12.9 m-85 -151.89 169.43 22.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.014 0.435 . . . . 0.0 110.976 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.1 m -134.86 122.87 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.7 tp -96.65 133.97 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 m -144.27 161.24 39.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.45 ' HB3' ' CB ' ' A' ' 40' ' ' PHE . 48.5 p90 -170.63 150.9 3.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.595 ' HZ3' ' HA ' ' A' ' 33' ' ' GLU . 17.1 tptt -64.75 129.18 38.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -120.16 146.74 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' ALA . 16.4 mm-40 -35.24 -49.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -70.43 -65.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 11.2 t -167.13 173.91 8.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 79.3 m -55.56 133.91 50.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.5 m -109.25 161.51 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -141.03 122.58 15.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.617 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.454 ' CD1' HG21 ' A' ' 98' ' ' ILE . 58.3 m-85 -127.47 106.7 9.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -65.63 148.48 51.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.622 HG22 HG12 ' A' ' 76' ' ' ILE . 96.3 t -127.85 114.43 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -81.16 159.15 24.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.567 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 2.2 tt -103.47 95.27 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.9 mm? -45.35 165.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -76.07 -20.35 57.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 71' ' ' ASP . 14.4 t0 -84.77 21.1 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.93 9.34 59.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.527 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.1 p -99.4 -177.36 3.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 111.15 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 55.1 m-85 -132.22 145.97 51.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.709 ' HB3' HD21 ' A' ' 69' ' ' LEU . 7.1 ttt -155.16 146.49 22.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.659 HG23 ' HD2' ' A' ' 77' ' ' PRO . 80.1 mt -93.46 138.43 23.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.556 0.694 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.3 Cg_endo -69.74 79.96 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.06 -19.92 0.49 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -88.74 179.68 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.64 17.17 10.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.16 161.14 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -135.45 179.15 6.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.52 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 13.1 m80 -150.24 162.76 39.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.5 p -72.29 -53.45 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -136.53 154.6 50.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.653 ' CD2' HG21 ' A' ' 42' ' ' ILE . 7.0 mp -38.0 -45.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -49.13 -58.29 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.64 -7.39 38.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.57 -25.29 15.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 86' ' ' LEU . 80.5 t -79.49 -51.14 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 96.1 m -55.04 -47.87 74.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.446 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 38.6 t80 -60.71 -37.79 82.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 3.9 m-70 -58.55 -48.77 79.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -43.0 -24.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 93' ' ' HIS . 47.6 mt-30 -108.21 -22.46 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 3.9 mmmt -127.08 108.43 21.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.563 ' HD3' HD21 ' A' ' 104' ' ' LEU . 54.8 Cg_endo -69.67 -167.8 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.41 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.786 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.3 mm -92.94 144.56 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.1 tt0 -39.26 -58.52 1.83 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.656 0.741 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.786 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.67 -49.73 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -98.52 115.75 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -16.64 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.5 126.59 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.563 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.9 mt -93.84 173.36 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 40' ' ' PHE . 25.3 mt -91.5 172.68 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.515 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.8 p -131.72 -58.57 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.427 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.9 pt20 -150.3 150.52 29.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 143.89 51.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 17.2 t -80.45 164.73 22.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.456 ' NE ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 mmt85 -120.22 139.42 52.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -55.8 161.94 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -60.32 -175.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -79.83 164.51 23.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.4 m -127.32 98.23 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -79.72 145.21 27.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.419 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 -8.08 22.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.619 2.213 . . . . 0.0 112.345 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.0 m -114.32 166.91 11.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.7 p -118.53 172.67 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.789 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 m -117.59 148.01 42.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -137.75 140.58 40.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.74 102.58 0.5 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -86.54 86.15 7.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -43.3 123.17 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.59 -144.97 3.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.53 125.42 2.22 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -84.18 87.64 7.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.943 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.4 mt -90.67 82.33 5.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.77 164.04 34.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.036 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -88.72 132.73 34.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -58.71 97.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.43 35.44 4.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.497 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.1 p -140.34 135.74 16.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.682 0.753 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.595 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.7 Cg_endo -69.71 176.77 6.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -82.52 -39.66 22.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.616 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 62.9 p-90 -60.38 -19.52 56.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -93.28 88.0 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.761 ' O ' HG23 ' A' ' 23' ' ' ILE . 13.9 m-70 -85.54 36.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.08 -148.11 6.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.538 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.15 81.08 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 111.055 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.761 HG23 ' O ' ' A' ' 20' ' ' HIS . 28.2 pt -87.78 171.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -90.55 171.75 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -60.64 -40.62 92.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.14 -38.08 69.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.52 -53.95 52.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' CA ' HD12 ' A' ' 23' ' ' ILE . . . -55.85 -48.72 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -64.3 -39.36 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -72.79 -29.34 63.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.49 HD22 ' CE1' ' A' ' 20' ' ' HIS . 5.5 mt -70.39 -29.83 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.831 HD21 HD12 ' A' ' 41' ' ' LEU . 71.1 mt -93.52 -34.77 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 34' ' ' SER . 4.6 pt-20 -46.64 -47.31 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.496 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.1 t -88.16 27.21 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -126.7 156.0 74.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 149.18 66.63 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.65 2.234 . . . . 0.0 112.393 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.649 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -48.82 132.03 18.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.649 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 108.95 -29.22 9.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -47.85 115.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.918 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.694 ' CE1' HG11 ' A' ' 90' ' ' VAL . 19.9 p90 -109.68 149.99 28.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.843 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -156.92 158.71 37.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.616 HD12 ' CZ3' ' A' ' 18' ' ' TRP . 88.1 mt -124.44 155.0 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.46 ' N ' HG22 ' A' ' 42' ' ' ILE . 23.6 ptt85 -147.42 127.22 13.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -51.79 128.92 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -76.03 165.7 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -126.32 -55.71 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.6 t -49.73 -51.96 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -122.21 132.13 54.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.59 125.48 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.84 -144.84 13.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -139.15 175.2 9.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.958 0.409 . . . . 0.0 110.956 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.5 m -141.16 107.07 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.108 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.8 tp -82.91 146.18 28.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.9 m -153.66 165.89 34.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -175.23 145.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -64.49 121.5 14.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -114.77 144.09 44.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ALA . 32.3 mm-40 -35.06 -41.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.94 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -74.78 -68.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.2 m -169.86 166.6 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 88.7 m -51.72 131.75 30.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.7 m -110.17 151.15 27.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -132.57 113.92 13.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.635 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.922 ' CD2' HG21 ' A' ' 98' ' ' ILE . 11.4 m-85 -111.87 129.57 56.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.4 ptm -84.99 140.89 30.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.9 t -123.69 118.14 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -89.02 164.1 15.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -104.05 113.5 27.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 75' ' ' MET . 3.0 mm? -70.11 166.29 20.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.76 -23.68 60.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 73' ' ' THR . 4.2 m-20 -84.36 27.59 0.69 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.15 28.83 59.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 71' ' ' ASP . 72.2 p -116.88 -177.32 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 111.134 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -136.02 138.01 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.587 ' HB3' HD21 ' A' ' 69' ' ' LEU . 6.6 ttt -146.67 141.65 27.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 77' ' ' PRO . 54.7 mt -83.98 137.12 40.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.68 0.752 . . . . 0.0 111.075 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.74 85.15 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.731 2.287 . . . . 0.0 112.337 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.72 -22.1 1.03 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -83.61 -175.72 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -126.87 17.45 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 m -145.0 162.22 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.56 -178.35 5.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.451 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 20.0 m80 -153.85 161.91 41.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.3 p -71.22 -52.09 20.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 86' ' ' LEU . 4.1 m -140.72 155.95 46.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.788 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.9 mm? -35.88 -47.04 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -47.28 -61.98 1.64 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.48 -10.93 38.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.54 -20.91 18.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 86' ' ' LEU . 74.9 t -80.17 -42.33 21.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.9 m -60.43 -52.95 63.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.465 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 32.2 t80 -55.85 -37.41 68.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 6.2 m-70 -59.12 -40.75 86.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -57.43 -15.58 7.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -112.58 -30.09 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 11.1 mmmt -122.15 118.52 29.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.524 0.678 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.604 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.8 Cg_endo -69.77 -175.89 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.249 . . . . 0.0 112.314 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.922 HG21 ' CD2' ' A' ' 64' ' ' PHE . 3.2 mm -92.68 137.23 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.0 OUTLIER -34.15 -58.4 0.61 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.872 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.77 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.294 . . . . 0.0 112.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -96.49 114.17 25.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 102' ' ' ARG . 5.2 ppt_? -85.05 36.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -109.15 136.58 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.604 HD21 ' HD3' ' A' ' 97' ' ' PRO . 15.6 mt -94.45 169.59 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 40' ' ' PHE . 28.3 mt -95.37 173.65 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.476 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 11.2 p -133.69 -62.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.435 ' N ' ' OG1' ' A' ' 106' ' ' THR . 20.6 pt20 -147.75 152.67 41.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.72 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.445 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.1 Cg_endo -69.73 142.26 47.58 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.724 2.282 . . . . 0.0 112.283 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 44.4 t -74.53 162.49 28.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 108' ' ' PRO . 11.2 mmt-85 -118.04 131.15 56.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -58.86 147.9 32.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.26 142.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -63.54 138.59 58.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.6 p -175.05 122.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -151.66 134.1 4.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.485 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -50.81 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.3 p -81.98 124.12 29.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -91.5 -32.8 15.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.508 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -165.47 149.9 8.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 p -100.45 150.26 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.96 81.15 0.5 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.559 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -133.53 158.11 43.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.812 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t 53.83 48.06 22.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.25 179.24 28.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.18 -94.13 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -150.67 132.6 15.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.3 mt -78.79 82.94 4.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.93 153.82 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -128.17 141.87 51.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -153.69 128.4 9.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.82 40.33 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 t -124.91 132.14 24.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -172.97 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.721 2.28 . . . . 0.0 112.342 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -95.53 -39.29 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.643 ' CE3' HD12 ' A' ' 42' ' ' ILE . 66.6 p-90 -62.44 -9.11 7.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -100.17 89.87 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.466 ' O ' HG23 ' A' ' 23' ' ' ILE . 32.6 m-70 -88.5 33.92 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.81 -128.25 15.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.54 97.38 7.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 111.171 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.64 ' CD1' ' HB2' ' A' ' 28' ' ' ALA . 12.3 pt -113.94 170.53 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ARG . 6.5 t -100.98 147.31 26.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' SER . 26.5 ttp180 -37.2 -49.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 12.1 pt-20 -54.21 -48.23 71.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 6.5 m-20 -59.62 -61.51 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -48.02 -46.83 33.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -64.33 -36.91 85.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -72.32 -28.84 63.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' CD2' ' HG2' ' A' ' 112' ' ' LYS . 3.9 mt -72.13 -30.41 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.772 HD11 HD12 ' A' ' 41' ' ' LEU . 53.5 mt -91.09 -25.23 19.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 34' ' ' SER . 4.5 pt-20 -55.24 -38.49 68.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' A' ' 33' ' ' GLU . 3.2 m -97.34 21.27 10.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -119.33 156.39 52.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.57 0.7 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.0 69.3 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -52.4 128.17 24.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.528 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 111.0 -19.42 25.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.426 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.3 m -59.51 116.35 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 0.0 110.78 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.968 ' HB3' HD22 ' A' ' 105' ' ' LEU . 24.7 p90 -106.55 158.23 17.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.941 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.84 146.45 9.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.643 HD12 ' CE3' ' A' ' 18' ' ' TRP . 78.5 mt -116.73 149.68 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' CB ' ' CG1' ' A' ' 23' ' ' ILE . 16.6 ptt85 -140.95 114.18 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.792 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' ARG . 43.4 t -34.9 128.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -87.06 150.69 23.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -120.76 -43.26 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.7 p -48.38 -51.53 26.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -127.67 153.03 46.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 49' ' ' VAL . 11.9 p -61.49 114.58 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.52 -151.14 23.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' CD2' HD11 ' A' ' 86' ' ' LEU . 43.0 m-85 -135.71 169.63 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.01 0.433 . . . . 0.0 110.839 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.1 m -129.76 115.47 17.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.212 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.53 141.41 28.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.7 m -149.4 164.92 33.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.596 ' CD2' HD21 ' A' ' 105' ' ' LEU . 17.8 p90 -175.08 148.41 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -65.84 129.61 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.441 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -122.15 149.15 44.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -39.58 -40.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.4 m -77.64 -69.21 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.8 p -167.12 166.11 15.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.9 p -47.48 133.08 13.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 29.9 m -109.49 148.87 30.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -132.1 122.86 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.602 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.685 ' CD2' HG21 ' A' ' 98' ' ' ILE . 16.6 m-85 -124.89 132.66 53.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.814 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.7 ptm -88.15 141.81 28.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.442 HG22 HG12 ' A' ' 76' ' ' ILE . 48.1 t -121.16 111.6 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -78.6 162.67 26.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 tt -110.34 97.72 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.8 mm? -52.31 175.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.89 -23.32 33.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -85.25 28.39 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.93 29.72 62.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.0 p -116.27 179.74 3.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 0.0 111.159 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.431 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 16.2 m-85 -135.48 137.79 42.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.672 ' HB3' HD21 ' A' ' 69' ' ' LEU . 3.2 ttt -150.01 126.24 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 77' ' ' PRO . 57.1 mt -71.08 138.4 84.77 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.64 0.733 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.9 Cg_endo -69.73 94.92 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.722 2.281 . . . . 0.0 112.386 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.4 -23.09 1.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.538 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -90.03 179.07 6.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 2.7 mppt? -120.78 21.12 11.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 m -143.3 169.98 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.77 177.85 8.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.7 m80 -147.66 161.89 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.9 p -67.84 -54.22 20.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.406 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 2.9 m -143.72 159.45 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.959 ' O ' HG23 ' A' ' 90' ' ' VAL . 32.4 mt -37.84 -46.49 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.17 -56.41 9.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.36 -9.72 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.547 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.36 -18.58 19.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.931 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 86' ' ' LEU . 42.2 t -82.76 -28.58 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.0 m -75.27 -48.08 24.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -62.69 -29.57 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.408 ' O ' ' CD2' ' A' ' 104' ' ' LEU . 3.4 m-70 -69.15 -36.4 77.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.49 -12.0 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -115.84 -32.19 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -119.25 118.46 32.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.525 0.679 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.12 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.382 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.858 HG22 ' HD2' ' A' ' 100' ' ' PRO . 3.1 mm -95.24 141.58 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -35.53 -58.31 0.83 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.651 0.738 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.858 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.7 Cg_endo -69.82 -50.24 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.252 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -99.71 115.69 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -8.0 57.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.32 142.84 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.408 ' CD2' ' O ' ' A' ' 93' ' ' HIS . 13.6 mt -105.2 -175.24 2.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.968 HD22 ' HB3' ' A' ' 40' ' ' PHE . 45.3 mt -107.22 171.28 7.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.528 HG23 ' HA3' ' A' ' 38' ' ' GLY . 6.8 p -134.56 -57.7 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -149.84 151.92 33.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.733 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 142.85 49.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.616 2.21 . . . . 0.0 112.349 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.7 155.37 33.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -115.49 135.48 54.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HG3' ' ND1' ' A' ' 20' ' ' HIS . 18.5 mp0 -53.04 168.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.43 ' HG2' ' CD2' ' A' ' 31' ' ' LEU . 29.6 mmtt -91.52 43.22 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -137.73 130.45 29.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.5 m -90.33 41.51 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 103.65 126.29 5.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.46 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.685 2.257 . . . . 0.0 112.312 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.5 t 58.8 47.53 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.4 m -141.77 179.96 6.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 1' ' ' GLY . 5.8 m 35.35 49.77 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -92.29 123.1 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.76 93.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 m -109.79 131.12 55.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -70.55 -45.88 64.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.63 -141.02 15.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.538 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.39 151.04 19.87 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -137.94 177.77 7.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.82 0.343 . . . . 0.0 110.97 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.7 mt -124.17 111.46 15.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.17 -38.4 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 42.86 54.41 4.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -113.65 96.08 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.4 44.17 3.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.598 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.9 p -138.31 137.63 21.08 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.638 0.732 . . . . 0.0 111.193 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.3 Cg_endo -69.71 178.49 4.49 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -89.14 -40.22 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.434 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 59.0 p-90 -57.23 -12.79 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -94.72 82.55 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.567 ' O ' HG23 ' A' ' 23' ' ' ILE . 15.6 m-70 -82.3 42.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 38.91 -146.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.0 96.06 10.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.694 0.283 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 20' ' ' HIS . 12.5 pt -105.12 170.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ASP . 2.2 t -96.67 141.95 29.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 24' ' ' SER . 7.4 ttm-85 -35.52 -38.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.27 -45.94 75.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 6.6 m-20 -57.74 -54.67 44.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.93 -59.23 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.86 -43.7 81.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -68.36 -21.52 64.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.409 HD21 ' H ' ' A' ' 112' ' ' LYS . 6.3 mt -79.21 -33.35 43.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.716 HD21 HD12 ' A' ' 41' ' ' LEU . 15.2 mt -92.02 -26.31 18.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.526 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.1 pt-20 -50.9 -49.43 59.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.526 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 3.6 m -86.79 21.61 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -119.05 155.39 53.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.563 0.696 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 151.24 69.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -51.48 127.57 20.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.581 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 112.55 -22.19 17.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.585 ' O ' HD22 ' A' ' 32' ' ' LEU . 10.9 m -57.32 115.54 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.911 ' HB3' HD22 ' A' ' 105' ' ' LEU . 39.6 p90 -107.5 163.63 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.806 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -168.93 154.99 6.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.583 ' N ' HD22 ' A' ' 41' ' ' LEU . 63.9 mt -127.45 143.08 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.455 ' CB ' HG12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -137.1 140.0 41.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 44' ' ' VAL . 3.9 t -55.05 125.05 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -82.96 166.35 18.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -127.28 -31.07 2.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -63.46 -61.57 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -107.01 159.06 16.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.6 t -77.73 104.98 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.517 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 156.25 -125.93 1.71 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 26.2 m-85 -149.67 -175.65 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.009 0.433 . . . . 0.0 110.875 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 64' ' ' PHE . 96.4 m -151.0 129.88 12.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.105 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -101.51 145.1 29.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.511 ' O ' HD13 ' A' ' 41' ' ' LEU . 67.4 m -152.45 149.74 28.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.636 ' CD2' HD21 ' A' ' 105' ' ' LEU . 17.1 p90 -159.72 152.23 21.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -64.8 128.67 36.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -119.33 141.44 49.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.456 ' N ' HD21 ' A' ' 37' ' ' LEU . 20.2 mt-30 -35.88 -38.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -80.92 -62.57 1.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 19.4 p -171.8 161.02 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.837 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.0 m -45.54 141.55 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.8 p -117.26 157.25 26.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.45 ' HD1' ' HG ' ' A' ' 54' ' ' SER . 98.8 m-70 -137.15 124.74 22.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.596 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 52' ' ' THR . 23.3 m-85 -124.25 127.34 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.7 ptm -84.39 135.67 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.92 105.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.071 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -80.91 157.95 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.28 96.63 6.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.945 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.662 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.0 OUTLIER -49.48 177.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.48 -22.81 28.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -77.72 3.31 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.87 12.75 76.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.382 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.0 p -106.25 172.39 6.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.123 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.523 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 5.7 m-85 -123.46 130.52 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.662 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.4 ttt -139.26 134.29 32.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.656 HG23 ' HD2' ' A' ' 77' ' ' PRO . 81.7 mt -83.93 138.74 40.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.2 Cg_endo -69.75 80.97 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.25 -16.03 0.42 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' C ' ' HD3' ' A' ' 80' ' ' LYS . 22.2 mm-40 -94.9 158.92 15.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.986 0.422 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 20.8 mmtt -100.16 19.01 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.53 159.07 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.451 ' HB2' ' HB2' ' A' ' 75' ' ' MET . . . -125.4 -175.06 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 7.2 m80 -151.69 150.6 30.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 p -56.62 -42.79 79.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.523 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 59.9 m -156.36 173.17 17.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.816 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.8 mp -48.49 -47.41 38.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -49.24 -56.43 9.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.25 43.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.574 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -100.03 -14.61 18.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 86' ' ' LEU . 57.6 t -87.69 -40.29 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.5 m -65.07 -38.89 92.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -71.88 -29.56 64.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -72.54 -27.32 62.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.69 -19.23 65.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -111.38 -27.73 8.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -122.86 119.1 28.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -176.0 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.26 . . . . 0.0 112.311 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.811 HG22 ' HD2' ' A' ' 100' ' ' PRO . 3.0 mm -94.95 146.14 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.534 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.2 tt0 -39.84 -58.4 2.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.811 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.3 Cg_endo -69.8 -50.63 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' ILE . 16.9 mmt180 -97.79 116.93 30.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.66 12.48 8.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.24 137.68 33.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 104' ' ' LEU . 11.3 mt -99.05 167.66 10.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.911 HD22 ' HB3' ' A' ' 40' ' ' PHE . 47.6 mt -95.39 164.82 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.581 HG23 ' HA3' ' A' ' 38' ' ' GLY . 3.6 p -129.25 -55.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -151.85 152.05 29.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 142.96 49.27 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 20.5 t -78.89 162.66 25.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -117.53 135.68 53.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 112' ' ' LYS . 4.4 pt20 -61.68 137.98 58.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 111' ' ' GLN . 12.5 mtpt -37.19 103.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -171.06 133.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.1 m -97.38 90.1 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -75.78 135.46 18.05 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 124.49 11.1 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.59 2.193 . . . . 0.0 112.365 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 61.4 p -163.81 160.02 21.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.7 m -99.82 148.05 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -152.2 171.6 17.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -141.29 167.28 22.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.88 -158.57 27.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.434 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -146.21 171.45 14.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.836 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -174.26 116.33 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.75 158.44 31.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.5 119.26 4.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -124.96 156.38 38.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.828 0.347 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.664 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -97.37 145.73 25.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.78 -178.16 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -97.58 140.77 31.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.9 133.74 25.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.84 37.54 2.56 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.435 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.61 125.89 12.22 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 111.158 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -173.56 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.375 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -92.77 -27.2 17.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.546 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 59.1 p-90 -78.07 -4.21 46.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -109.02 88.92 2.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.415 ' CD2' HD13 ' A' ' 31' ' ' LEU . 31.1 m80 -82.88 40.19 0.67 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.525 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 40.05 -100.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.92 97.99 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.435 HD11 ' HB3' ' A' ' 43' ' ' ARG . 10.0 pt -106.94 -177.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' ASP . 19.6 m -109.65 141.62 41.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' SER . 3.3 tmm_? -35.81 -34.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' SER . 13.0 pt-20 -70.49 -47.26 61.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -58.74 -51.71 68.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.58 -56.7 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -56.22 -42.07 76.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -71.16 -25.61 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.52 HD21 ' HG3' ' A' ' 112' ' ' LYS . 5.8 mt -73.77 -28.31 61.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.665 HD21 HD12 ' A' ' 41' ' ' LEU . 22.3 mt -97.2 -30.33 13.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.8 pt-20 -50.77 -47.83 59.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.4 t -87.57 25.54 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -124.93 154.3 71.03 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 149.47 66.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -48.64 129.2 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.536 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 112.08 -24.53 14.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.421 ' O ' HD22 ' A' ' 32' ' ' LEU . 49.9 m -55.04 117.83 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.974 0.416 . . . . 0.0 110.856 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.92 ' HB3' HD22 ' A' ' 105' ' ' LEU . 25.0 p90 -109.32 156.8 19.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.852 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -164.11 149.62 10.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.67 ' N ' HD22 ' A' ' 41' ' ' LEU . 66.3 mt -120.84 151.94 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.435 ' HB3' HD11 ' A' ' 23' ' ' ILE . 19.2 ptt85 -142.79 121.32 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 21' ' ' GLY . 52.9 t -40.42 126.26 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -80.92 158.61 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -127.83 -41.41 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 98.8 p -57.8 -50.8 72.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 65' ' ' MET . 6.8 p-80 -124.21 128.33 49.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -43.87 130.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 130.33 -138.76 10.43 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 1.031 ' CD2' HD11 ' A' ' 86' ' ' LEU . 15.0 m-85 -143.19 170.63 15.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.015 0.436 . . . . 0.0 110.924 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.0 m -133.2 121.08 22.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.66 142.34 27.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 m -154.62 153.55 31.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.426 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 52.8 p90 -162.92 167.91 21.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -81.71 126.82 32.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.461 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -121.39 144.87 48.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.473 ' N ' HD21 ' A' ' 37' ' ' LEU . 13.3 mm-40 -34.12 -49.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.8 t -65.16 -66.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m -174.99 167.74 3.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.5 m -49.44 132.22 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 t -117.81 167.48 11.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -141.74 148.85 39.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.524 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CD2' HG21 ' A' ' 98' ' ' ILE . 37.6 m-85 -143.64 130.93 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.574 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 23.1 ptm -86.07 139.88 30.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 98.6 t -124.41 107.71 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -78.0 172.28 13.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.579 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 tt -115.63 101.9 9.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.9 mm? -51.55 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.29 -24.99 20.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -80.94 10.51 4.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.67 17.39 77.57 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.567 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 65.9 p -104.08 -178.02 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.841 0.353 . . . . 0.0 111.126 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 27.6 m-85 -135.59 122.28 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' MET . . . . . 0.664 ' HB3' HD21 ' A' ' 69' ' ' LEU . 5.5 ttt -131.79 138.16 48.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 77' ' ' PRO . 51.3 mt -84.83 138.44 37.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 111.083 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.9 Cg_endo -69.68 81.88 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.386 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.07 -25.37 0.61 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.496 ' O ' ' CE ' ' A' ' 75' ' ' MET . 13.5 mm-40 -87.55 158.48 18.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.884 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' HD2' ' C ' ' A' ' 79' ' ' GLU . 12.1 mmmt -102.24 28.65 5.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.61 160.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 83' ' ' HIS . . . -132.13 -175.82 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 5.3 m80 -153.03 154.57 35.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.0 p -62.39 -54.19 43.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 6.0 m -145.24 162.62 36.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.031 HD11 ' CD2' ' A' ' 51' ' ' TYR . 85.5 mt -35.75 -51.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -58.69 3.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.08 -7.83 39.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.59 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.63 -21.63 17.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.485 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 69.7 t -82.34 -49.26 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.8 m -56.77 -51.71 67.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -56.6 -38.96 72.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.0 m-70 -60.44 -44.02 96.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -50.32 -21.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -110.73 -24.58 10.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -125.0 112.8 26.74 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.639 0.733 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.617 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.7 Cg_endo -69.79 -175.88 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.694 HG22 ' HD2' ' A' ' 100' ' ' PRO . 1.6 mm -83.3 158.86 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.524 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -53.42 -58.57 12.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 110.84 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.694 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.72 -51.1 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER -75.95 166.39 23.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.86 -21.26 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -67.82 143.89 55.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.617 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.4 mt -104.63 -176.7 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.92 HD22 ' HB3' ' A' ' 40' ' ' PHE . 50.6 mt -98.82 168.55 10.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.511 HG23 ' HA3' ' A' ' 38' ' ' GLY . 9.0 p -132.9 -60.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.424 ' N ' ' OG1' ' A' ' 106' ' ' THR . 13.2 pt20 -146.62 149.62 37.45 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.604 0.716 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.439 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.2 Cg_endo -69.7 143.17 50.25 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.2 t -79.21 163.14 25.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 108' ' ' PRO . 11.2 mmt-85 -114.82 136.77 52.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -66.69 153.61 42.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.52 ' HG3' HD21 ' A' ' 31' ' ' LEU . 30.1 mtmt -85.65 47.1 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -164.75 143.61 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.2 t -125.06 -41.39 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 131.3 86.17 0.36 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.477 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.13 37.11 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.2 m -137.34 147.15 45.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.8 t -126.98 -43.98 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.519 HG23 ' HD2' ' A' ' 16' ' ' PRO . 14.8 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 121.644 0.735 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.519 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.0 Cg_endo -69.72 174.43 9.48 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.419 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.63 -40.67 14.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -60.38 -12.59 9.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -96.94 92.96 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 22' ' ' ALA . 19.5 m-70 -90.04 39.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.647 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 40.17 -97.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -134.31 105.47 6.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.75 0.31 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 28' ' ' ALA . 51.0 pt -115.12 172.74 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 27' ' ' ASP . 70.0 m -97.12 142.38 29.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' SER . 5.1 ttm180 -34.61 -39.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -71.83 -47.09 55.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' SER . 6.0 m-20 -48.72 -50.56 33.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.592 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -56.79 -62.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -50.18 -32.08 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -79.83 -26.29 40.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD21 ' HG2' ' A' ' 112' ' ' LYS . 3.8 mt -74.03 -26.18 60.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 41' ' ' LEU . 29.3 mt -97.31 -28.94 13.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.0 pt-20 -50.37 -47.78 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.2 t -86.83 16.87 4.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 87.4 mm-40 -117.25 153.77 50.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.543 0.687 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 149.54 67.03 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.761 2.308 . . . . 0.0 112.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -46.42 133.09 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.573 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 108.59 -30.45 8.8 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.607 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.8 m -49.69 117.58 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.925 ' HB3' HD22 ' A' ' 105' ' ' LEU . 32.2 p90 -108.93 167.86 9.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.681 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -169.6 160.1 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.467 HD13 HD22 ' A' ' 86' ' ' LEU . 46.9 mt -133.49 148.5 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.545 ' NH2' ' CE1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -141.29 135.18 30.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 21' ' ' GLY . 86.5 t -50.76 122.46 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 t -89.14 123.78 33.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -91.9 -46.72 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.5 m -43.45 -61.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -121.04 126.04 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 p -41.39 133.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.87 -129.01 5.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD2' HD11 ' A' ' 86' ' ' LEU . 91.3 m-85 -155.0 179.95 8.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.975 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.9 m -140.71 106.63 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.786 HD13 ' C ' ' A' ' 53' ' ' LEU . 1.8 tm? -83.33 128.58 34.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.531 ' N ' HD13 ' A' ' 53' ' ' LEU . 49.9 m -139.52 160.99 38.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.474 ' CD2' HD21 ' A' ' 105' ' ' LEU . 32.5 p90 -172.08 156.82 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -69.92 129.69 40.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -121.78 145.57 47.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.482 ' N ' HD21 ' A' ' 37' ' ' LEU . 5.2 mm-40 -34.87 -50.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -70.32 -60.2 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.527 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.1 m -174.3 169.29 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.4 t -48.66 136.77 12.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 99.1 m -111.89 145.81 38.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.545 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 88.2 m-70 -125.65 118.24 25.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.589 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CD2' HG21 ' A' ' 98' ' ' ILE . 25.8 m-85 -120.95 122.82 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.6 ptm -77.37 141.19 39.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -121.62 114.5 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 3.4 mtmp? -84.16 166.6 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.44 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -117.01 95.66 5.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.685 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.1 mm? -52.19 161.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -74.05 -20.28 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.45 9.17 4.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.3 18.67 79.08 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.0 p -112.53 -175.72 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 15.6 m-85 -137.11 139.9 41.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.647 ' HB3' HD21 ' A' ' 69' ' ' LEU . 5.0 ttt -154.23 129.66 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 77' ' ' PRO . 86.0 mt -71.05 138.61 84.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.75 86.68 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.768 2.312 . . . . 0.0 112.312 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.21 -11.7 1.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -93.42 -175.29 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -125.65 9.72 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.79 160.3 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.402 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -131.92 -177.6 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 17.0 m-70 -154.98 144.5 21.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.3 p -52.89 -39.72 62.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.559 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 13.0 m -157.78 173.49 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 90' ' ' VAL . 47.9 mt -49.27 -45.29 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.87 -57.78 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.9 -7.01 42.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.506 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -99.16 -23.9 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 86' ' ' LEU . 84.5 t -78.71 -34.5 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 81.3 m -68.97 -44.74 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -67.56 -27.63 67.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -72.81 -25.41 61.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -70.5 -16.44 62.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -113.4 -29.4 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.428 ' N ' HD21 ' A' ' 104' ' ' LEU . 11.0 mmmt -122.27 121.1 27.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -166.51 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.752 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.5 mm -101.44 144.74 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.7 tt0 -38.86 -58.67 1.62 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.752 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.3 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.236 . . . . 0.0 112.316 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -99.57 117.66 34.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.428 ' CD ' ' H ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -82.23 16.46 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -85.88 139.47 31.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.428 HD21 ' N ' ' A' ' 96' ' ' LYS . 12.9 mt -104.17 177.63 4.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.925 HD22 ' HB3' ' A' ' 40' ' ' PHE . 41.3 mt -104.24 166.62 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.563 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.4 p -130.29 -55.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -151.85 151.73 28.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 144.02 52.81 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 42.9 t -76.05 161.01 29.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -118.08 131.86 56.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -49.12 162.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.499 ' HG2' HD21 ' A' ' 31' ' ' LEU . 24.8 mmmt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.623 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.6 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.666 0.746 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.623 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.3 Cg_endo -69.75 176.02 7.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -88.27 -40.41 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.424 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 62.5 p-90 -58.17 -11.87 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -92.8 85.68 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.551 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 40.2 m-70 -86.73 28.76 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.05 -130.94 32.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -111.54 89.34 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 111.069 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.2 pt -98.22 174.08 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 27' ' ' ASP . 48.5 m -94.39 144.2 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -39.63 -43.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.13 -41.94 99.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' SER . 63.6 m-20 -60.37 -65.19 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.79 -55.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -54.9 -42.81 72.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -69.83 -25.2 63.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mt -74.76 -27.86 60.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 HD12 ' A' ' 41' ' ' LEU . 56.9 mt -98.55 -28.37 13.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.1 pt-20 -52.17 -48.47 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.0 t -83.49 13.03 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -114.16 154.57 46.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 152.93 69.11 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.72 2.28 . . . . 0.0 112.309 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.479 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -51.64 125.94 16.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.481 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 115.97 -26.97 8.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.447 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.612 ' O ' HD22 ' A' ' 32' ' ' LEU . 32.9 m -54.22 116.34 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.647 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 15.6 p90 -108.44 153.12 23.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.885 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -160.25 143.57 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.573 ' N ' HD22 ' A' ' 41' ' ' LEU . 97.2 mt -110.91 148.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' VAL . 14.4 ptt85 -140.19 109.18 6.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' ARG . 60.0 t -37.3 135.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.4 t -99.21 158.23 15.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -120.68 -49.85 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.4 m -44.79 -43.53 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -125.56 141.56 51.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.33 116.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.61 -142.21 11.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.434 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.734 ' CD2' HD11 ' A' ' 86' ' ' LEU . 39.2 m-85 -138.53 -179.01 5.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 0.0 110.893 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.1 m -143.66 119.9 10.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 54' ' ' SER . 6.1 tp -96.44 149.83 21.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.429 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 38.4 m -156.26 164.87 37.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.801 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.405 ' CD2' HD21 ' A' ' 105' ' ' LEU . 31.2 p90 -174.34 151.8 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -66.74 123.13 19.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -115.32 144.55 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.107 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.431 ' N ' HD21 ' A' ' 37' ' ' LEU . 20.0 mm-40 -36.88 -46.5 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.5 p -72.76 -64.89 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -170.95 161.38 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -48.3 144.23 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.8 t -120.69 163.66 17.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -142.28 112.16 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.668 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CD2' HG21 ' A' ' 98' ' ' ILE . 4.7 m-85 -110.57 131.91 54.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.2 ptm -87.31 139.95 30.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.0 t -122.22 119.95 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -93.06 173.93 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.813 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.572 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 2.4 tt -116.95 99.48 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.642 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.4 mm? -51.47 -177.44 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -92.73 -22.25 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -80.33 8.52 7.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.64 48.82 7.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.411 ' OG1' HD23 ' A' ' 69' ' ' LEU . 61.3 p -142.7 165.76 26.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.175 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.572 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 2.2 m-85 -126.52 118.87 25.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.9 ptm -131.55 161.43 32.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 77' ' ' PRO . 22.2 mt -94.33 138.67 22.39 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.639 0.733 . . . . 0.0 111.189 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.78 86.06 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.749 2.299 . . . . 0.0 112.281 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.89 -16.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.65 -179.35 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -120.05 20.62 12.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.2 m -148.53 152.05 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.45 -176.08 3.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.509 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 9.6 m-70 -148.36 147.15 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.3 p -53.24 -51.44 62.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.48 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 16.7 m -147.98 164.67 33.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.734 HD11 ' CD2' ' A' ' 51' ' ' TYR . 47.2 mt -39.21 -43.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -50.88 -61.75 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.31 -4.56 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.621 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -99.38 -25.14 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 86' ' ' LEU . 93.3 t -79.03 -37.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.5 m -67.9 -53.31 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 20.5 t80 -53.91 -28.21 35.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 6.0 m-70 -70.07 -36.9 75.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -58.81 -15.51 12.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -115.04 -28.68 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -123.27 117.9 27.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -167.79 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.411 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.793 HG22 ' HD2' ' A' ' 100' ' ' PRO . 3.0 mm -101.58 139.47 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.072 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.0 tt0 -34.59 -58.65 0.65 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 121.631 0.729 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.793 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.74 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.623 2.215 . . . . 0.0 112.298 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 98' ' ' ILE . 2.3 mmp_? -99.39 116.56 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -84.64 16.13 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -84.43 134.62 34.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 104' ' ' LEU . 11.6 mt -96.55 169.85 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 40' ' ' PHE . 30.6 mt -97.57 165.51 11.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.481 HG23 ' HA3' ' A' ' 38' ' ' GLY . 5.4 p -125.63 -57.72 1.44 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.406 ' N ' ' OG1' ' A' ' 106' ' ' THR . 8.2 pt20 -152.03 153.68 31.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.651 0.739 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 145.34 57.36 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 35.9 t -82.57 161.51 22.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -113.09 145.38 41.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -70.79 151.6 44.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.503 HG23 ' HD2' ' A' ' 16' ' ' PRO . 13.9 p . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.596 0.712 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.7 Cg_endo -69.76 163.82 36.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.1 pt-20 -78.19 -30.28 48.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 58.9 p-90 -70.8 -5.21 28.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.481 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 76.0 t80 -102.83 93.02 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -87.78 38.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.481 ' HA2' ' CE2' ' A' ' 19' ' ' PHE . . . 45.54 -106.44 0.12 Allowed Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.485 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.11 98.21 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.634 ' CD1' ' HB2' ' A' ' 28' ' ' ALA . 23.0 pt -108.51 169.92 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 t -95.13 152.93 17.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -49.63 -26.77 3.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.84 -36.66 28.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.72 -54.97 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.634 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -47.95 -58.01 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -56.58 -35.11 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -73.85 -26.88 60.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.5 HD23 ' HG3' ' A' ' 112' ' ' LYS . 6.7 mt -74.94 -29.69 61.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.689 HD11 HD12 ' A' ' 41' ' ' LEU . 15.8 mt -92.81 -25.52 18.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.4 pt-20 -53.26 -43.91 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.9 m -90.13 18.43 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -117.58 156.02 49.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 148.96 66.44 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.63 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -47.53 134.49 12.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.99 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.648 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 105.56 -25.59 23.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.432 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.513 ' O ' HD22 ' A' ' 32' ' ' LEU . 15.2 m -52.96 115.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.612 ' CE1' HG11 ' A' ' 90' ' ' VAL . 32.8 p90 -105.65 166.25 10.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.781 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -169.08 158.2 8.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.81 HD13 HD22 ' A' ' 86' ' ' LEU . 18.4 mt -128.74 141.55 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' VAL . 6.3 ptm180 -131.88 112.76 12.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ARG . 54.2 t -34.11 133.25 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.1 m -80.86 164.22 22.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -131.58 -51.82 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -53.53 -56.18 19.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.779 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -118.74 134.1 55.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 p -51.96 124.86 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.616 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 144.39 -133.24 5.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.425 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.732 ' CD2' HD11 ' A' ' 86' ' ' LEU . 21.0 m-85 -153.79 172.96 16.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.398 . . . . 0.0 110.947 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.1 m -134.6 116.36 14.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.686 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.2 tm? -88.81 131.59 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.497 ' N ' HD22 ' A' ' 53' ' ' LEU . 2.9 m -143.48 157.75 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.775 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.469 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 31.4 p90 -169.54 162.2 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -79.61 124.96 29.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -117.24 146.94 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' ALA . 10.7 mt-30 -34.29 -51.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -69.28 -60.37 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.1 m -174.94 172.04 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.809 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.75 141.74 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.458 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 99.6 m -116.74 146.58 42.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -124.48 133.51 53.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.638 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.73 ' CD2' HG21 ' A' ' 98' ' ' ILE . 34.9 m-85 -136.9 135.82 38.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.3 ptm -90.73 135.79 33.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.402 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 58.3 t -117.4 115.01 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -84.38 163.5 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 tt -110.98 96.64 6.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.79 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.0 OUTLIER -49.88 178.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -85.34 -23.59 27.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.58 22.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.37 24.47 69.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.568 ' OG1' HD23 ' A' ' 69' ' ' LEU . 20.1 p -112.61 177.49 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 17.5 m-85 -132.91 129.61 38.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.79 ' HB3' HD21 ' A' ' 69' ' ' LEU . 3.0 ttt -139.74 125.97 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.647 HG23 ' HD2' ' A' ' 77' ' ' PRO . 70.1 mt -71.99 138.46 82.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.704 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.647 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.84 109.61 2.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.66 -11.84 7.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -97.11 -177.62 3.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.955 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 3.5 mppt? -125.76 18.97 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.99 160.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.484 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -129.51 -175.11 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.499 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 15.4 m-70 -159.5 140.29 12.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.7 p -54.28 -50.34 67.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' LEU . 42.6 m -144.1 156.53 44.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.81 HD22 HD13 ' A' ' 42' ' ' ILE . 54.1 mt -34.34 -47.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -46.57 -60.0 2.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.76 -5.97 18.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.499 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -100.57 -24.87 14.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.612 HG11 ' CE1' ' A' ' 40' ' ' PHE . 81.5 t -79.94 -40.66 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.061 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -62.13 -40.34 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -72.86 -25.13 60.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.412 ' CE1' HD12 ' A' ' 76' ' ' ILE . 2.5 m-70 -73.79 -26.22 60.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -69.78 -10.27 57.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -120.14 -25.2 5.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -127.59 116.88 21.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.665 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.5 Cg_endo -69.74 -169.77 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.743 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -95.48 142.63 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.8 tt0 -35.74 -58.54 0.85 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.674 0.749 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.743 ' HD2' HG22 ' A' ' 98' ' ' ILE . 52.9 Cg_endo -69.86 -50.76 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -97.95 114.95 27.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -83.8 22.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 2.6 tm-20 -88.48 142.0 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.665 HD21 ' HD3' ' A' ' 97' ' ' PRO . 14.7 mt -105.02 175.61 5.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.439 HD13 ' CG ' ' A' ' 40' ' ' PHE . 16.0 mt -106.45 175.41 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.648 HG23 ' HA3' ' A' ' 38' ' ' GLY . 8.6 p -134.96 -62.06 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.3 pt20 -146.02 153.72 49.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.423 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.4 Cg_endo -69.81 142.67 48.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.625 2.217 . . . . 0.0 112.367 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.0 t -77.1 166.63 23.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.446 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 8.1 mmt-85 -121.47 131.69 54.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.28 143.01 56.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.5 ' HG3' HD23 ' A' ' 31' ' ' LEU . 18.5 mtmm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.44 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 11.6 p . . . . . 0 C--O 1.232 0.181 0 CA-C-O 121.608 0.718 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.479 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 54.0 Cg_endo -69.79 -177.66 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HA ' ' NE2' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -91.72 -40.36 11.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 52.7 p-90 -61.69 -13.07 19.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -95.84 82.42 3.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.537 ' CE1' HD22 ' A' ' 31' ' ' LEU . 21.4 m-70 -72.76 -19.39 61.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.552 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 96.61 -131.55 10.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.84 95.01 9.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.731 0.3 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 33.3 pt -120.78 161.6 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.01 159.75 15.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.8 tpp85 -39.8 -48.82 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -59.8 -41.23 90.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.431 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 11.6 m-20 -60.91 -56.83 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.14 -48.19 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.54 -38.7 90.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -73.76 -23.24 59.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.537 HD22 ' CE1' ' A' ' 20' ' ' HIS . 7.2 mt -78.28 -28.7 47.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 39' ' ' SER . 11.3 mt -96.04 -24.17 16.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.4 pt-20 -51.54 -46.04 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.466 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.5 t -87.7 16.05 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -115.87 153.96 48.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.582 0.706 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 149.89 67.26 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.55 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -49.05 129.29 17.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.591 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 111.3 -19.68 24.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' HD22 ' A' ' 32' ' ' LEU . 7.2 m -60.72 121.05 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.824 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.731 ' CE1' HG11 ' A' ' 90' ' ' VAL . 29.0 p90 -110.33 168.37 9.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 54' ' ' SER . 0.0 OUTLIER -166.18 172.84 10.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.469 ' N ' HD22 ' A' ' 41' ' ' LEU . 16.3 mt -140.78 138.73 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.472 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 10.5 ptm180 -124.26 158.82 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 21' ' ' GLY . 59.3 t -78.58 117.0 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -70.23 151.44 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.541 ' CE1' ' O ' ' A' ' 44' ' ' VAL . 13.0 m80 -125.78 -52.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -50.5 -46.25 57.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -127.04 151.13 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.72 133.79 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.78 -141.9 13.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' CD2' HD11 ' A' ' 86' ' ' LEU . 76.2 m-85 -139.99 -175.44 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.908 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.1 m -146.98 116.56 7.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 93' ' ' HIS . 6.3 tp -91.45 146.9 23.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.559 ' HB2' HD11 ' A' ' 41' ' ' LEU . 50.8 m -153.98 167.15 30.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.487 ' CD2' HD21 ' A' ' 105' ' ' LEU . 38.1 p90 -175.02 156.71 2.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -73.55 128.79 36.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.922 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -120.77 144.62 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' N ' HD21 ' A' ' 37' ' ' LEU . 20.5 mt-30 -34.99 -59.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -65.37 -59.44 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.922 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 94.6 p -164.36 172.92 12.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.7 m -61.32 154.9 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.533 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 29.9 m -111.31 162.05 15.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -151.88 106.35 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.551 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.684 ' CD2' HG21 ' A' ' 98' ' ' ILE . 9.8 m-85 -117.37 144.02 45.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.0 ptm -99.91 136.02 40.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.6 HG12 ' HB3' ' A' ' 74' ' ' PHE . 18.3 t -116.98 104.41 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -71.42 169.77 14.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.5 99.54 7.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.865 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.5 mm? -55.08 173.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -81.0 -21.73 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.09 25.16 1.0 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.27 18.29 60.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.464 HG22 ' HA ' ' A' ' 84' ' ' THR . 80.5 p -108.71 172.32 6.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.333 . . . . 0.0 111.18 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.6 ' HB3' HG12 ' A' ' 66' ' ' VAL . 1.6 m-85 -128.86 127.6 42.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.865 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.3 ttt -134.14 128.98 35.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.654 HG23 ' HD2' ' A' ' 77' ' ' PRO . 71.9 mt -76.44 138.65 67.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.666 0.746 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.78 92.89 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.29 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.18 -14.41 2.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.499 ' O ' ' CE ' ' A' ' 75' ' ' MET . 30.2 mt-10 -94.97 156.22 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 80' ' ' LYS . 10.8 mmmt -100.01 22.38 11.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.08 162.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.98 -179.29 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 11.2 m-70 -152.94 148.24 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.464 ' HA ' HG22 ' A' ' 73' ' ' THR . 17.7 p -56.29 -47.7 78.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 46.2 m -148.18 178.89 8.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.797 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 90' ' ' VAL . 28.9 mt -53.07 -50.95 63.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -46.78 -56.48 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.96 -7.05 43.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -98.71 -25.28 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.731 HG11 ' CE1' ' A' ' 40' ' ' PHE . 91.9 t -80.15 -49.2 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.2 m -53.03 -41.12 64.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 18.5 t80 -69.83 -30.72 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.476 ' CD2' HD22 ' A' ' 53' ' ' LEU . 4.6 m-70 -69.14 -24.63 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -69.69 -20.39 63.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -111.18 -24.82 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 11.1 mmmt -126.26 118.64 23.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.579 0.704 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.79 -171.5 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.257 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.729 HG22 ' HD2' ' A' ' 100' ' ' PRO . 1.9 mm -97.26 152.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.534 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -45.55 -58.4 6.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.665 0.745 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.729 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.5 Cg_endo -69.8 -50.72 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.384 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -99.56 115.05 28.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.59 8.47 9.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.33 138.22 40.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mt -101.16 176.06 5.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 40' ' ' PHE . 18.1 mt -107.49 171.06 7.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.591 HG23 ' HA3' ' A' ' 38' ' ' GLY . 3.5 p -129.82 -59.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.437 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.6 pt20 -147.97 152.67 40.79 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.37 50.59 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 36.7 t -74.68 156.69 36.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -110.58 142.92 41.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 17' ' ' GLU . 14.6 mp0 -42.22 157.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 111' ' ' GLN . 3.1 mptt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.561 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.6 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.569 0.7 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.596 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 54.3 Cg_endo -69.7 -174.99 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.6 -40.09 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.596 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 57.7 p-90 -58.45 -14.58 8.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -95.85 121.54 37.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.735 ' CE1' HD13 ' A' ' 31' ' ' LEU . 16.4 m-70 -104.2 -54.33 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 126.54 86.04 0.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.532 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 1.062 ' HB1' ' CE1' ' A' ' 46' ' ' HIS . . . 34.79 37.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.8 0.334 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.488 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 9.1 pt -50.51 170.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 27' ' ' ASP . 3.2 t -87.34 140.53 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -37.6 -40.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -70.38 -39.93 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -58.74 -43.23 90.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.28 93.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.425 ' CD ' ' HB2' ' A' ' 61' ' ' CYS . 3.1 mm-40 -70.98 -33.92 70.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -81.38 -28.83 34.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.735 HD13 ' CE1' ' A' ' 20' ' ' HIS . 5.6 mt -71.58 -30.78 66.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.632 HD11 HD11 ' A' ' 41' ' ' LEU . 14.0 mt -90.9 -27.93 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 34' ' ' SER . 4.7 pt-20 -53.61 -40.77 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 33' ' ' GLU . 3.9 t -85.16 4.71 33.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.798 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -110.63 154.4 43.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.712 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 151.43 69.31 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.689 2.259 . . . . 0.0 112.39 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.567 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -46.84 134.34 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.583 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 108.99 -36.51 4.31 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.533 ' O ' HD22 ' A' ' 32' ' ' LEU . 5.6 m -45.86 119.63 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.81 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.77 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.9 p90 -110.86 168.4 9.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.632 HD11 HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -168.44 166.77 12.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.595 HD12 ' CZ3' ' A' ' 18' ' ' TRP . 21.8 mt -133.32 138.44 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 6.5 ptm180 -126.63 112.11 15.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.743 ' HB ' ' HB2' ' A' ' 22' ' ' ALA . 96.1 t -33.95 130.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.3 m -83.41 157.33 22.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 1.062 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 72.9 m80 -121.05 -40.2 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.06 -50.51 66.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 52.8 p-80 -119.18 174.45 6.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 49' ' ' VAL . 13.8 m -84.79 33.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.552 ' HA3' ' CD2' ' A' ' 48' ' ' HIS . . . -119.58 -142.96 6.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CG ' HD21 ' A' ' 86' ' ' LEU . 97.8 m-85 -140.86 -178.27 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 64' ' ' PHE . 88.5 m -139.55 117.58 11.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.787 HD13 ' C ' ' A' ' 53' ' ' LEU . 1.3 tm? -95.07 137.11 34.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.618 ' H ' HD22 ' A' ' 53' ' ' LEU . 31.0 m -146.04 165.94 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.46 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 39.0 p90 -175.11 164.55 3.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -78.27 124.44 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.535 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -118.79 142.3 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.478 ' N ' HD21 ' A' ' 37' ' ' LEU . 12.8 mm-40 -36.83 -54.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.1 p -61.82 -64.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 t -174.29 155.77 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.425 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 1.8 m -41.05 142.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.3 m -119.36 160.99 21.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -142.12 115.98 9.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.609 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.661 ' CD2' HG21 ' A' ' 98' ' ' ILE . 14.1 m-85 -116.77 147.06 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 ptm -100.65 151.3 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 66.8 t -129.93 111.83 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -77.85 164.8 24.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.416 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.3 tt -117.81 100.8 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.606 HD22 ' H ' ' A' ' 69' ' ' LEU . 1.1 mm? -60.28 167.73 2.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -77.11 -13.45 59.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -88.03 21.22 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.99 20.01 64.14 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.403 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.6 p -112.93 170.63 8.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.494 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 48.7 m-85 -123.73 136.68 54.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.5 ' CB ' HD21 ' A' ' 69' ' ' LEU . 6.7 tpt -138.43 135.8 35.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.529 ' CD1' ' NE2' ' A' ' 93' ' ' HIS . 27.1 mt -87.11 132.49 41.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 84.94 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.303 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.51 -30.05 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -86.83 -174.71 5.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -123.39 11.33 9.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.404 ' O ' ' SD ' ' A' ' 75' ' ' MET . 2.6 m -137.06 147.03 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -111.89 -179.07 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 17.3 m-70 -148.12 158.96 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.6 p -68.11 -49.89 58.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 3.5 m -152.29 162.13 41.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.806 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.8 mp -36.38 -45.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.16 -55.66 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.5 -7.74 53.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.496 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.54 -18.76 18.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 86' ' ' LEU . 90.9 t -84.77 -36.82 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.3 m -67.58 -47.63 69.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.66 -30.2 71.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.529 ' NE2' ' CD1' ' A' ' 76' ' ' ILE . 2.7 m-70 -69.27 -30.7 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -65.81 -19.63 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -110.52 -22.96 11.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -130.27 119.7 18.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.529 0.68 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -166.31 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.695 2.264 . . . . 0.0 112.33 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.756 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.3 mm -101.75 144.7 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.536 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.7 tt0 -39.04 -58.33 1.8 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.675 0.75 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.756 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.3 Cg_endo -69.69 -50.26 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.781 2.32 . . . . 0.0 112.328 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.37 115.58 29.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -84.41 26.98 0.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE2' ' N ' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -93.26 144.91 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.438 ' N ' ' OE2' ' A' ' 103' ' ' GLU . 11.2 mt -106.34 179.03 4.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.77 HD22 ' HB3' ' A' ' 40' ' ' PHE . 28.0 mt -110.7 168.05 9.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.583 HG23 ' HA3' ' A' ' 38' ' ' GLY . 1.8 p -129.69 -55.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -154.18 152.42 26.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.545 0.688 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.31 53.58 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.322 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 46.8 t -78.72 151.33 32.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.67 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -39.17 148.44 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.9 pttp . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.583 HG23 ' HD2' ' A' ' 16' ' ' PRO . 8.6 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.609 0.718 . . . . 0.0 111.058 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.82 -176.86 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.722 2.282 . . . . 0.0 112.312 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 4.9 pt-20 -93.89 -27.2 16.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.58 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 58.7 p-90 -72.0 -4.62 29.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -100.55 91.15 4.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.611 ' O ' HG23 ' A' ' 23' ' ' ILE . 34.2 m-70 -85.93 34.96 0.61 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.42 -128.22 45.75 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.77 88.13 2.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 20' ' ' HIS . 14.4 pt -107.36 165.1 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' ASP . 15.7 m -104.8 145.36 30.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.515 ' HG3' ' N ' ' A' ' 26' ' ' GLU . 39.1 ptt85 -34.26 -42.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.515 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 11.9 pt-20 -56.01 -50.33 71.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -65.49 -46.5 79.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.807 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.01 -51.0 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.02 -38.96 80.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -71.1 -26.06 62.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.682 HD21 ' HG2' ' A' ' 112' ' ' LYS . 4.0 mt -75.79 -33.42 60.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.849 HD21 HD12 ' A' ' 41' ' ' LEU . 12.7 mt -89.08 -28.0 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.7 pt-20 -49.16 -44.43 42.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.446 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.5 t -90.84 24.12 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -124.03 155.9 66.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.04 66.49 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.728 2.285 . . . . 0.0 112.312 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.506 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -49.57 127.47 15.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.608 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 112.77 -22.75 16.05 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.646 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.8 m -57.2 119.45 6.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.803 ' HB3' HD22 ' A' ' 105' ' ' LEU . 42.9 p90 -110.97 164.1 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.849 HD12 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -167.56 149.23 5.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.578 HG21 HD13 ' A' ' 86' ' ' LEU . 62.2 mt -117.87 141.33 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.513 ' CB ' ' CG1' ' A' ' 23' ' ' ILE . 17.8 ptt85 -130.37 127.69 39.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.1 t -41.59 133.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 m -80.46 161.73 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -122.93 -42.35 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -57.23 -54.85 42.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -113.22 175.84 5.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.804 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.5 m -85.09 28.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.462 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -112.35 -136.52 6.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.533 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.786 ' CD2' HD11 ' A' ' 86' ' ' LEU . 23.9 m-85 -145.13 -179.6 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.895 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.496 HG21 ' NH2' ' A' ' 43' ' ' ARG . 97.3 m -137.07 116.66 12.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tp -96.11 138.13 34.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.6 m -147.25 167.75 23.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 64' ' ' PHE . 53.3 p90 -175.05 164.65 3.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -83.4 127.31 33.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.447 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -118.73 152.34 36.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.05 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -42.51 -41.9 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -74.03 -64.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -174.73 165.86 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.1 m -48.6 141.17 7.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.9 m -123.09 149.2 44.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -124.58 123.0 39.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.615 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.751 ' CE2' HG21 ' A' ' 98' ' ' ILE . 53.0 m-85 -119.22 138.74 52.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 ptm -99.89 136.15 40.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.612 HG22 HG12 ' A' ' 76' ' ' ILE . 71.4 t -121.69 113.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -79.11 176.27 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -118.31 102.92 9.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 75' ' ' MET . 3.1 mm? -55.32 176.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -84.74 -24.75 28.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -81.29 12.8 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.22 12.6 84.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.494 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.626 HG22 ' HA ' ' A' ' 84' ' ' THR . 82.7 p -100.74 -177.78 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 5.4 m-85 -137.78 124.0 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.689 ' HB3' HD21 ' A' ' 69' ' ' LEU . 3.0 ttt -130.19 132.68 46.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.612 HG12 HG22 ' A' ' 66' ' ' VAL . 75.8 mt -76.59 135.28 68.58 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.612 0.72 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.532 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.74 80.37 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.743 2.296 . . . . 0.0 112.313 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.08 -28.68 0.3 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -83.34 -176.15 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.12 19.47 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.77 162.81 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 75' ' ' MET . . . -131.88 177.33 7.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 10.5 m-70 -150.25 148.7 29.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.626 ' HA ' HG22 ' A' ' 73' ' ' THR . 17.3 p -53.55 -53.55 50.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.048 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.556 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 9.4 m -144.67 159.64 42.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.814 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.786 HD11 ' CD2' ' A' ' 51' ' ' TYR . 68.7 mt -36.73 -47.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -48.05 -59.64 3.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.84 -8.94 40.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.506 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -96.13 -26.3 15.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.487 HG11 ' CE2' ' A' ' 40' ' ' PHE . 53.4 t -75.46 -47.74 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.7 m -55.44 -50.56 69.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.1 -31.25 69.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -66.29 -37.26 85.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -58.22 -18.9 29.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -110.89 -22.26 11.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.48 115.65 18.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.695 ' HD3' HD21 ' A' ' 104' ' ' LEU . 54.4 Cg_endo -69.76 -174.93 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.773 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -89.07 144.68 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -37.91 -58.73 1.32 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.731 . . . . 0.0 110.835 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.773 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.3 Cg_endo -69.76 -52.16 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.362 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HD3' ' CE2' ' A' ' 64' ' ' PHE . 3.7 mpt_? -91.52 115.0 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -85.28 26.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -99.15 143.96 28.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.695 HD21 ' HD3' ' A' ' 97' ' ' PRO . 15.6 mt -102.87 174.93 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 40' ' ' PHE . 21.9 mt -101.1 171.25 7.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.608 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.7 p -130.27 -57.33 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.413 ' N ' ' OG1' ' A' ' 106' ' ' THR . 23.4 pt20 -152.36 150.37 25.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 145.77 58.17 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.662 2.242 . . . . 0.0 112.385 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 47.1 t -74.72 163.72 27.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.498 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 6.6 mmt180 -119.94 136.04 54.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -44.57 161.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.682 ' HG2' HD21 ' A' ' 31' ' ' LEU . 23.1 mmmt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 16' ' ' PRO . 86.1 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.645 0.736 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.1 Cg_endo -69.86 176.45 6.82 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.277 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.2 -41.97 14.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.653 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 64.1 p-90 -58.95 -12.96 5.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 66.2 t80 -98.34 117.11 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.645 ' HE1' HD22 ' A' ' 31' ' ' LEU . 36.7 m-70 -110.34 20.48 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 68.1 -106.5 1.74 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.18 80.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.411 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 14.6 pt -94.34 172.54 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.066 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 m -102.24 159.47 15.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -45.66 -54.03 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 10.5 pt-20 -55.13 -44.61 75.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 79.7 m-20 -55.88 -57.47 11.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.26 -51.82 31.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -58.85 -35.39 72.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -75.59 -25.53 57.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.645 HD22 ' HE1' ' A' ' 20' ' ' HIS . 5.2 mt -75.68 -28.1 58.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.619 HD11 HD12 ' A' ' 41' ' ' LEU . 18.3 mt -95.86 -26.16 15.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.9 pt-20 -52.5 -46.36 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.471 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.8 m -85.57 10.79 12.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -112.69 155.0 44.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.594 0.711 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 153.0 69.3 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -51.57 131.93 29.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.613 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 108.91 -21.91 26.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 m -57.23 122.38 12.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.387 . . . . 0.0 110.904 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.779 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.9 p90 -110.6 158.06 18.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.828 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.48 147.67 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.83 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.654 HD13 HD22 ' A' ' 86' ' ' LEU . 69.4 mt -118.04 145.26 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.497 HH12 HG22 ' A' ' 52' ' ' THR . 13.0 ptt-85 -135.76 120.02 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 21' ' ' GLY . 90.6 t -44.41 106.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.5 p -73.32 141.47 47.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -110.92 -38.16 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.6 m -48.06 -55.12 10.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -124.44 143.45 50.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 49' ' ' VAL . 12.7 p -52.7 120.68 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.61 -152.62 20.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.841 ' CD2' HD11 ' A' ' 86' ' ' LEU . 4.0 m-85 -130.46 171.82 12.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.931 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.497 HG22 HH12 ' A' ' 43' ' ' ARG . 64.2 m -133.41 93.93 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.17 142.37 54.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.2 m -150.67 165.25 33.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.581 ' CD2' HD21 ' A' ' 105' ' ' LEU . 9.5 p90 -174.75 143.28 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -56.44 125.33 21.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -118.1 143.43 46.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ALA . 22.9 mt-30 -35.87 -55.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.8 p -65.94 -60.12 3.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 15.6 t -174.35 154.35 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.814 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 4.4 m -35.48 148.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.1 m -119.92 147.1 45.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -130.56 114.97 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.611 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.601 ' CD1' HG21 ' A' ' 98' ' ' ILE . 36.2 m-85 -115.7 124.38 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.6 ptm -78.81 142.95 36.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.439 HG22 HG12 ' A' ' 76' ' ' ILE . 90.4 t -124.92 129.88 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 166.97 10.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.05 94.75 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.7 mm? -48.01 169.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -75.64 -22.56 56.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -84.59 21.32 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.16 17.95 66.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.3 p -106.83 179.94 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.185 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 14.2 m-85 -129.57 135.1 48.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.845 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -142.87 132.18 23.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.64 HG23 ' HD2' ' A' ' 77' ' ' PRO . 59.8 mt -83.87 138.64 40.26 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.573 0.701 . . . . 0.0 111.165 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.64 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.3 Cg_endo -69.73 85.67 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.03 -19.47 0.56 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' CE ' ' A' ' 75' ' ' MET . 57.9 mm-40 -98.79 155.33 17.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.986 0.422 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.457 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 4.6 mmmm -99.1 31.28 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.89 165.59 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.17 177.33 7.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.468 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 10.0 m-70 -148.75 150.49 33.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.3 p -55.68 -50.77 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.575 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 4.2 m -148.91 175.9 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.841 HD11 ' CD2' ' A' ' 51' ' ' TYR . 84.7 mt -49.64 -49.92 45.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.36 -54.1 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.66 -11.07 60.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.636 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -98.17 -15.98 19.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 86' ' ' LEU . 80.3 t -87.71 -37.32 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.5 m -70.71 -43.84 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -64.21 -30.62 71.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 5.5 m-70 -67.91 -36.2 79.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -53.05 -19.1 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -113.03 -28.59 7.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.53 112.43 29.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.74 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.4 Cg_endo -69.75 -164.08 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.655 2.237 . . . . 0.0 112.283 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.733 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -98.91 139.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -35.04 -58.5 0.72 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.667 0.746 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.733 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.75 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -100.49 112.41 24.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.9 -11.7 60.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.73 128.45 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.74 HD21 ' HD3' ' A' ' 97' ' ' PRO . 10.4 mt -94.28 177.9 5.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 40' ' ' PHE . 34.6 mt -106.59 151.74 24.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.591 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.0 p -114.99 -54.87 2.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -153.51 153.26 28.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.51 0.672 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.38 53.83 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.68 148.35 35.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -102.85 150.62 23.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.469 HE22 ' CG ' ' A' ' 20' ' ' HIS . 25.2 mm-40 -46.02 172.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.3 pttt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.465 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 8.7 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.634 0.731 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.9 Cg_endo -69.69 -179.77 3.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.411 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -92.96 -40.03 10.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.445 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 56.6 p-90 -56.94 -14.59 3.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -89.41 88.26 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -84.84 39.93 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.27 -113.39 0.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.16 84.52 2.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.4 pt -96.87 -179.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 m -102.17 140.93 35.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' SER . 25.1 ttt180 -35.17 -46.93 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 16.4 pt-20 -62.96 -51.79 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 1.3 m-20 -53.65 -39.47 65.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.88 -61.73 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.65 ' CD ' ' CE1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -54.94 -38.47 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -67.43 -30.35 70.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.699 HD21 ' HG3' ' A' ' 112' ' ' LYS . 3.4 mt -71.56 -27.83 63.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.969 HD11 HD12 ' A' ' 41' ' ' LEU . 16.3 mt -93.15 -27.21 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.978 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.0 pt-20 -52.01 -43.04 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.423 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.0 m -88.83 15.48 8.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -114.53 156.71 44.28 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.701 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 149.58 67.38 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.716 2.278 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.551 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -47.7 131.09 14.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.59 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 110.76 -32.4 6.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.529 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.575 ' O ' HD22 ' A' ' 32' ' ' LEU . 15.5 m -49.22 122.32 5.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.784 ' HB3' HD22 ' A' ' 105' ' ' LEU . 32.5 p90 -115.9 164.76 13.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.969 HD12 HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -168.17 163.01 13.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.84 ' N ' HD22 ' A' ' 41' ' ' LEU . 93.7 mt -134.11 158.47 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.528 ' N ' HG22 ' A' ' 42' ' ' ILE . 9.6 ptt85 -149.5 112.14 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.6 t -39.01 112.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.5 p -72.3 165.55 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.786 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -127.95 -35.43 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 t -58.28 -66.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -102.48 143.49 32.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.637 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.3 p -61.7 94.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 166.92 -137.01 4.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 19.1 m-85 -146.26 -177.62 5.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.933 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.9 m -142.73 119.31 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -99.98 132.67 45.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.484 ' HB3' HD11 ' A' ' 41' ' ' LEU . 2.5 t -136.08 153.2 51.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.67 ' CE2' ' CE2' ' A' ' 64' ' ' PHE . 7.7 p90 -164.29 146.59 8.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -62.79 129.57 41.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.509 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -122.19 138.7 54.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.508 ' N ' HD21 ' A' ' 37' ' ' LEU . 22.7 mt-30 -34.46 -42.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.8 m -71.09 -69.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.2 m -174.64 161.59 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 60' ' ' SER . 26.4 p -34.62 135.9 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.2 m -130.17 145.56 51.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.65 ' CE1' ' CD ' ' A' ' 29' ' ' GLU . 87.8 m-70 -119.04 139.6 51.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 109.57 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.786 ' CD1' HG21 ' A' ' 98' ' ' ILE . 41.5 m-85 -133.87 100.43 4.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.9 ptm -68.34 140.24 55.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.7 t -121.15 104.38 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -71.33 169.71 14.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 tt -118.16 105.62 11.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.699 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.4 mm? -60.72 165.94 3.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -75.05 -20.27 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.76 13.32 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.67 18.61 77.4 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.7 p -109.32 178.38 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.148 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 14.5 m-85 -132.8 137.9 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.699 ' HB3' HD21 ' A' ' 69' ' ' LEU . 2.7 ttt -150.3 133.4 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.435 ' CD1' ' NE2' ' A' ' 93' ' ' HIS . 23.4 mt -75.47 132.44 75.68 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.588 0.709 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 82.59 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.96 -17.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 99' ' ' GLU . 6.3 mm-40 -99.75 -175.34 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.952 0.406 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -123.24 21.15 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.42 153.17 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.488 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -124.81 -174.87 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 9.7 m-70 -159.99 142.31 13.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 74.9 p -50.26 -52.45 36.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.564 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 68.4 m -141.53 171.68 13.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.547 ' HA ' HD23 ' A' ' 89' ' ' LEU . 4.6 mt -54.12 -49.3 69.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -52.07 -20.22 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.63 -13.28 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -96.17 -20.35 18.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.658 HG11 ' CE2' ' A' ' 40' ' ' PHE . 65.5 t -79.21 -44.17 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 40.1 m -57.81 -44.83 86.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 24.9 t80 -65.31 -28.51 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.435 ' NE2' ' CD1' ' A' ' 76' ' ' ILE . 2.7 m-70 -68.81 -23.78 64.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.27 -18.98 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.66 -27.44 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 7.9 mmmt -123.96 118.51 26.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.26 2.79 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.786 HG21 ' CD1' ' A' ' 64' ' ' PHE . 2.1 mm -90.17 150.15 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.532 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -43.86 -58.44 4.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.663 0.744 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.76 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.82 -48.22 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.634 2.223 . . . . 0.0 112.328 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -100.52 111.88 24.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.44 ' CD ' ' H ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -77.82 7.03 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -79.13 146.23 33.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.4 mt -104.74 176.42 5.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.784 HD22 ' HB3' ' A' ' 40' ' ' PHE . 46.1 mt -103.14 165.68 10.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.59 HG23 ' HA3' ' A' ' 38' ' ' GLY . 1.6 p -127.24 -58.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.432 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.9 pt20 -151.48 152.9 31.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.663 0.744 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 143.91 52.62 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.658 2.239 . . . . 0.0 112.38 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 34.2 t -75.81 163.06 27.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -117.54 142.1 47.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -66.67 153.01 44.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.699 ' HG3' HD21 ' A' ' 31' ' ' LEU . 6.3 mtpm? . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 16' ' ' PRO . 85.8 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.82 -179.55 3.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.388 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' OE1' ' NE ' ' A' ' 110' ' ' ARG . 6.2 pt-20 -90.58 -28.23 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 56.3 p-90 -74.22 -4.79 38.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -101.68 100.47 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.407 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 4.0 m-70 -99.33 41.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 42.71 -127.0 4.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.529 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -112.79 115.55 28.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.726 0.298 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CG1' ' HD2' ' A' ' 43' ' ' ARG . 6.1 pt -125.29 -177.61 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASP . 12.9 p -100.92 148.48 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -44.35 -29.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.48 -33.21 48.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' SER . 61.4 m-20 -68.62 -53.53 22.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.538 ' HB2' ' HD3' ' A' ' 43' ' ' ARG . . . -48.05 -51.45 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -62.83 -40.32 97.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -67.73 -23.08 65.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mt -78.92 -31.72 45.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.704 HD11 HD12 ' A' ' 41' ' ' LEU . 20.0 mt -93.43 -24.39 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.519 ' CG ' ' N ' ' A' ' 34' ' ' SER . 3.8 pt-20 -54.71 -48.67 72.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.519 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 48.9 m -79.62 1.91 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -106.31 152.42 40.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.669 0.747 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.7 59.48 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.644 2.229 . . . . 0.0 112.356 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.794 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -51.92 131.41 31.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.538 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 112.52 -32.28 6.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.574 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' HD22 ' A' ' 32' ' ' LEU . 4.6 m -51.14 119.38 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.629 ' HB3' HD22 ' A' ' 105' ' ' LEU . 29.6 p90 -112.08 159.22 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.903 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -162.13 136.92 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.707 HD13 HD22 ' A' ' 86' ' ' LEU . 54.6 mt -106.86 151.09 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.097 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.538 ' HD3' ' HB2' ' A' ' 28' ' ' ALA . 8.7 mtm180 -137.42 172.93 12.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 t -90.3 112.86 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -73.6 119.14 17.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -79.52 -45.53 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.7 t -49.17 -43.89 42.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.418 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 9.8 p-80 -140.12 126.34 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 49' ' ' VAL . 4.3 p -49.98 111.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.57 -128.05 1.56 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.619 ' CD2' HD11 ' A' ' 86' ' ' LEU . 71.3 m-85 -154.35 163.54 39.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.2 m -129.24 111.64 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.217 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.649 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.9 tm? -85.4 127.27 34.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -141.47 159.15 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.62 ' CD2' HD21 ' A' ' 105' ' ' LEU . 26.3 p90 -172.19 147.98 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -61.88 126.95 29.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.794 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -115.63 147.58 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.461 ' N ' HD21 ' A' ' 37' ' ' LEU . 21.2 mm-40 -45.75 -36.34 5.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -83.8 -66.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -165.12 155.18 13.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.1 t -44.09 142.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -118.5 162.06 18.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -147.97 109.21 4.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.545 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.787 ' CD2' HG21 ' A' ' 98' ' ' ILE . 11.7 m-85 -110.46 124.86 52.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.4 ptm -74.71 148.19 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.9 t -131.05 116.43 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 4.7 mtmp? -84.06 161.86 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.99 86.31 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 69' ' ' LEU . 1.8 mm? -44.23 161.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -74.91 -20.38 59.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.21 6.26 8.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.49 76.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.459 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.2 p -107.96 -177.69 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 85' ' ' SER . 9.9 m-85 -141.43 125.07 16.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.445 ' HB3' HD21 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -142.34 137.47 30.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 77' ' ' PRO . 79.2 mt -78.19 138.35 60.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.673 0.749 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.75 81.71 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.709 2.273 . . . . 0.0 112.259 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.94 -20.4 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -89.35 -178.28 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 18.83 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.25 157.37 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -128.29 -176.71 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.06 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 18.7 m-70 -151.18 151.93 32.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.6 p -62.18 -44.57 96.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.512 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 3.9 m -149.93 164.47 35.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.707 HD22 HD13 ' A' ' 42' ' ' ILE . 77.9 mt -42.0 -50.89 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.14 -59.7 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.83 -4.82 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.584 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -98.29 -27.59 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.55 HG11 ' CZ ' ' A' ' 40' ' ' PHE . 88.5 t -79.54 -39.25 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.7 m -63.82 -46.71 83.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -65.25 -25.75 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 8.7 m-70 -72.18 -43.7 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.811 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -49.04 -19.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -112.33 -26.26 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -124.38 110.77 28.41 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.59 0.709 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.812 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.0 Cg_endo -69.81 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.787 HG21 ' CD2' ' A' ' 64' ' ' PHE . 1.8 mm -92.22 139.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.531 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.9 tt0 -34.78 -58.5 0.68 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.706 0.765 . . . . 0.0 110.923 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.768 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.77 -46.81 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.375 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 61.5 mmt-85 -102.99 112.79 25.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -10.53 59.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.75 142.24 41.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.812 HD21 ' HD3' ' A' ' 97' ' ' PRO . 15.8 mt -108.3 -179.04 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' A' ' 40' ' ' PHE . 37.4 mt -107.03 165.04 11.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.51 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.1 p -128.53 -58.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.433 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.1 pt20 -148.93 152.34 36.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.525 0.679 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.443 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.2 Cg_endo -69.69 145.95 59.16 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 42.9 t -79.68 162.23 25.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.407 ' NE ' ' OE1' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -119.08 132.76 56.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -56.87 145.84 28.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.3 mttt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.659 0.742 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 18' ' ' TRP . 53.1 Cg_endo -69.79 170.74 15.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.72 -39.87 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.504 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 65.2 p-90 -59.27 -11.54 4.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -100.02 105.76 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.438 ' CD2' HD23 ' A' ' 41' ' ' LEU . 29.8 m-70 -104.84 39.5 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.91 -118.59 2.74 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.475 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.43 104.35 11.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 0.0 111.06 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 pt -113.32 175.79 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -98.15 145.68 26.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.782 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -42.77 -32.89 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.77 -41.23 60.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.67 -56.99 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.08 -58.33 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -55.43 -44.01 75.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -70.18 -22.17 62.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mt -77.38 -31.68 54.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 HD12 ' A' ' 41' ' ' LEU . 20.5 mt -93.52 -24.79 17.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.2 pt-20 -56.46 -46.27 80.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.475 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 50.7 m -85.07 11.75 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -111.28 157.79 37.96 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 151.96 69.26 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.742 2.295 . . . . 0.0 112.302 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -51.96 130.58 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.566 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 107.95 -19.33 32.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.529 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -58.22 123.34 15.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 105' ' ' LEU . 34.9 p90 -117.3 150.68 38.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.91 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -160.49 142.9 12.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.584 ' N ' HD22 ' A' ' 41' ' ' LEU . 55.5 mt -114.03 158.5 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.515 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -151.05 140.68 21.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -55.65 122.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.2 m -75.01 164.26 26.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -125.37 -47.87 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.0 t -54.26 -58.7 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -115.28 142.79 46.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.82 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 p -62.78 123.77 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.608 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 142.69 -128.98 3.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.777 ' CD2' HD11 ' A' ' 86' ' ' LEU . 31.2 m-85 -155.33 169.64 23.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.926 0.393 . . . . 0.0 110.926 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.6 m -135.66 117.54 15.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 93' ' ' HIS . 12.9 tp -86.38 134.53 33.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -139.25 156.3 47.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -171.03 150.74 3.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -68.02 132.43 47.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.998 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -123.25 141.47 51.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' ALA . 12.6 mt-30 -35.79 -39.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.8 m -78.7 -62.91 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.9 p -173.6 164.58 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 72.9 m -52.23 130.14 29.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 t -114.98 158.82 21.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.493 ' ND1' ' NH2' ' A' ' 43' ' ' ARG . 81.5 m-70 -132.32 138.89 47.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.849 ' CE1' HG21 ' A' ' 98' ' ' ILE . 60.1 m-85 -134.2 127.8 32.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.5 ptm -86.96 136.08 33.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 76' ' ' ILE . 57.5 t -119.94 108.64 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -76.22 158.26 31.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 tt -104.02 102.65 12.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.747 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.1 mm? -54.44 162.87 1.0 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -71.79 -25.75 62.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -76.21 6.82 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.18 16.65 76.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.532 HG22 ' HA ' ' A' ' 84' ' ' THR . 71.2 p -108.5 -179.63 3.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 111.145 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.518 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 21.1 m-85 -131.87 131.51 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.747 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.7 ttt -139.93 126.88 20.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 66' ' ' VAL . 89.5 mt -72.61 131.63 84.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.719 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 83.49 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.766 2.31 . . . . 0.0 112.307 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.71 -15.01 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.43 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 99' ' ' GLU . 7.9 mm-40 -101.14 -175.0 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.373 . . . . 0.0 110.888 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.23 19.48 9.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.72 156.41 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.499 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -126.15 -174.89 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 8.7 m-70 -159.66 136.12 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.532 ' HA ' HG22 ' A' ' 73' ' ' THR . 50.6 p -44.42 -49.42 9.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.171 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.475 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 5.9 m -149.67 171.57 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.777 HD11 ' CD2' ' A' ' 51' ' ' TYR . 34.6 mt -45.62 -46.03 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -57.85 5.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.94 -6.53 39.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.649 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -100.28 -20.89 15.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.528 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 60.0 t -81.28 -42.43 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.3 m -65.68 -46.35 79.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -62.63 -29.48 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.442 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.9 m-70 -71.38 -29.46 64.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -64.74 -15.82 62.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -115.25 -27.7 7.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -124.65 108.33 28.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.581 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.7 Cg_endo -69.78 179.28 3.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.64 2.226 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.849 HG21 ' CE1' ' A' ' 64' ' ' PHE . 1.9 mm -80.86 149.17 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.6 tt0 -42.0 -58.61 3.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.651 0.738 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.761 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.82 -51.19 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.753 2.302 . . . . 0.0 112.3 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -93.81 114.27 26.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -17.64 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.79 142.87 17.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.581 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.8 mt -108.11 175.63 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 40' ' ' PHE . 31.5 mt -98.13 159.33 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.56 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.2 p -122.84 -57.77 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.423 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.6 pt20 -151.19 151.29 29.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.3 50.46 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.2 t -76.81 161.32 28.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -116.99 136.99 52.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.419 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 1.9 pt20 -58.03 150.05 21.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.61 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.3 p . . . . . 0 C--O 1.231 0.09 0 CA-C-O 121.638 0.732 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.2 Cg_endo -69.81 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.46 -27.36 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.519 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 61.0 p-90 -73.45 -12.45 60.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -97.14 105.06 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.567 ' CE1' HD22 ' A' ' 31' ' ' LEU . 10.3 m-70 -101.61 34.7 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 53.92 -130.29 43.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.485 ' HB1' ' CE1' ' A' ' 46' ' ' HIS . . . -105.72 99.48 9.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.446 HD11 ' HB3' ' A' ' 43' ' ' ARG . 22.3 pt -111.59 177.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' ASP . 57.7 m -107.28 147.45 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.82 -45.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.1 -43.81 98.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' SER . 91.0 m-20 -58.25 -58.15 9.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.55 -53.29 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -58.23 -38.38 76.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -72.24 -27.93 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 20' ' ' HIS . 4.8 mt -72.94 -28.87 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.702 HD21 HD12 ' A' ' 41' ' ' LEU . 22.9 mt -93.46 -31.01 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.959 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.8 pt-20 -46.29 -44.46 16.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 26.2 m -94.08 32.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -131.08 156.25 80.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 153.55 69.1 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.589 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -55.74 124.53 17.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.62 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 112.17 -9.35 26.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -66.65 119.28 11.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.98 0.419 . . . . 0.0 110.826 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.77 ' CE1' HG11 ' A' ' 90' ' ' VAL . 19.1 p90 -107.34 152.41 24.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.912 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -161.6 141.23 10.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.747 HD13 HD22 ' A' ' 86' ' ' LEU . 56.3 mt -110.29 157.66 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.506 ' N ' HG22 ' A' ' 42' ' ' ILE . 4.5 ptm180 -143.47 136.43 27.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.3 91.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.0 t -54.31 153.43 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.485 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 67.1 m80 -121.13 -37.68 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.7 m -48.47 -68.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -107.45 161.97 14.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 p -70.14 111.62 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.67 -133.06 4.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.422 ' CD2' HD11 ' A' ' 86' ' ' LEU . 51.1 m-85 -144.53 -175.26 4.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.012 0.434 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 64' ' ' PHE . 96.4 m -145.63 110.05 5.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -86.69 143.54 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 m -151.74 162.89 40.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -167.55 148.35 5.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -70.73 118.16 13.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.927 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -105.95 160.06 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ALA . 5.7 mm-40 -36.53 93.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' ALA . 2.0 t 47.64 47.99 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.927 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.9 p -175.73 117.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.789 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.5 t -91.97 145.92 24.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.72 161.23 30.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -142.07 105.84 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.532 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.727 ' O ' HG23 ' A' ' 52' ' ' THR . 28.3 m-85 -92.36 156.52 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.5 ptm -110.38 140.96 44.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 61.3 t -124.24 122.97 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 166.51 13.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.472 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -112.4 89.94 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.2 mm? -45.25 170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.01 -23.25 48.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -80.47 9.36 6.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.38 19.92 77.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.2 p -108.67 176.61 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.472 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 19.8 m-85 -130.66 135.3 47.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.645 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.5 tpt -147.77 141.06 25.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 77' ' ' PRO . 24.2 mt -91.14 138.47 25.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 111.092 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.69 82.72 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 163.95 -28.13 0.22 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.5 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -85.51 -177.47 6.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -121.69 1.74 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.54 148.87 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.4 -177.37 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.494 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 27.2 m-70 -147.79 165.06 31.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 72.4 p -75.67 -43.64 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.438 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 56.4 m -151.12 163.09 39.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.747 HD22 HD13 ' A' ' 42' ' ' ILE . 44.1 mt -42.33 -49.41 5.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -47.97 -54.09 13.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.83 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.82 -9.79 59.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.494 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.63 -20.58 17.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.77 HG11 ' CE1' ' A' ' 40' ' ' PHE . 81.3 t -83.2 -38.57 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.2 m -62.38 -46.57 88.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -65.56 -32.18 73.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -67.21 -32.93 74.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -62.5 -19.06 63.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -111.41 -29.3 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -121.49 119.22 29.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.524 0.678 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.553 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.9 Cg_endo -69.75 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.788 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.7 mm -97.85 150.17 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.524 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.6 tt0 -42.07 -58.83 3.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.74 0.781 . . . . 0.0 110.979 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.788 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.8 Cg_endo -69.75 -54.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 101' ' ' ARG . 0.4 OUTLIER -94.22 120.55 34.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -83.27 -10.47 58.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.81 138.56 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.553 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.3 mt -102.95 -176.33 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 40' ' ' PHE . 11.7 mt -108.86 172.41 6.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.62 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.6 p -134.39 -53.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -154.92 151.94 24.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 142.84 48.94 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 51.5 t -77.55 161.83 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -113.24 154.2 27.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -66.36 155.09 38.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 16' ' ' PRO . 87.3 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.651 0.739 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.5 Cg_endo -69.78 -163.81 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.397 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.2 pt-20 -101.28 -29.34 12.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -73.52 -10.7 59.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -98.87 92.38 5.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.593 ' CE1' HD22 ' A' ' 31' ' ' LEU . 23.9 m-70 -86.48 25.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.42 -117.79 10.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.79 85.88 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.6 pt -97.84 178.67 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 m -105.07 169.33 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -55.73 -55.27 34.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 17.9 pm0 -57.45 -30.18 64.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.473 ' N ' ' HG2' ' A' ' 26' ' ' GLU . 8.0 m-20 -73.18 -50.99 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.16 -51.16 67.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.17 -35.74 76.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -72.92 -24.67 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.795 HD21 ' HD2' ' A' ' 112' ' ' LYS . 4.8 mt -76.82 -25.81 53.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.773 HD11 HD12 ' A' ' 41' ' ' LEU . 25.5 mt -99.32 -25.92 14.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.979 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.4 pt-20 -51.96 -47.08 64.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 16.4 m -84.79 12.81 6.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -114.42 153.41 46.57 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.74 69.51 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.63 2.22 . . . . 0.0 112.403 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.548 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -50.17 126.76 15.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.949 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.613 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 115.79 -25.39 9.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.492 ' O ' HD22 ' A' ' 32' ' ' LEU . 30.7 m -56.85 119.63 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.86 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.622 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 25.2 p90 -108.97 157.24 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.816 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.69 150.32 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.663 ' N ' HD22 ' A' ' 41' ' ' LEU . 14.7 mt -120.86 157.02 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.502 ' N ' HG22 ' A' ' 42' ' ' ILE . 10.3 ptt85 -147.48 117.24 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' ARG . 47.5 t -37.28 133.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -94.32 158.52 15.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 47' ' ' SER . 29.9 m170 -122.59 -62.26 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 46' ' ' HIS . 12.2 t -35.04 -45.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -131.14 143.01 50.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 49' ' ' VAL . 8.6 p -62.49 119.47 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.556 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 149.57 -124.44 1.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 59.1 m-85 -161.89 -177.1 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.931 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 64' ' ' PHE . 95.3 m -142.96 118.41 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.781 HD13 ' C ' ' A' ' 53' ' ' LEU . 0.8 OUTLIER -94.49 132.34 39.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.629 ' N ' HD22 ' A' ' 53' ' ' LEU . 3.1 m -140.53 156.55 46.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.523 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 53.8 p90 -168.73 147.08 4.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -62.18 131.5 49.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.548 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -122.27 144.73 48.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.444 ' N ' HD21 ' A' ' 37' ' ' LEU . 8.2 mt-30 -37.58 -45.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -74.03 -63.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m -170.44 161.53 7.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.425 ' SG ' HD12 ' A' ' 32' ' ' LEU . 2.8 t -44.04 144.22 0.97 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 55' ' ' TYR . 29.6 p -118.33 146.02 44.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -125.89 112.78 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.575 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.783 ' O ' HG23 ' A' ' 52' ' ' THR . 53.3 m-85 -117.7 149.45 40.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.9 ptm -109.02 145.23 35.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.2 t -121.45 118.91 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -85.59 165.5 17.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.457 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -109.0 106.05 15.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.528 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.6 mm? -63.27 157.73 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.92 -23.83 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -74.0 -5.85 43.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.72 12.41 55.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.538 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.473 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 30.9 p -104.76 -178.84 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.857 0.361 . . . . 0.0 111.085 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -141.8 126.85 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.4 ptm -142.28 157.99 44.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.659 HG23 ' HD2' ' A' ' 77' ' ' PRO . 22.8 mt -88.8 138.28 29.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.1 Cg_endo -69.76 90.8 0.51 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.742 2.295 . . . . 0.0 112.331 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.08 -21.16 0.76 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -90.68 -178.96 5.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.986 0.422 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.59 22.41 10.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.12 156.08 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.32 -177.92 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.492 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 14.0 m-70 -152.45 139.96 19.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.1 p -45.24 -48.98 12.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.578 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 5.8 m -153.43 174.29 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.8 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 90' ' ' VAL . 55.9 mt -46.51 -45.12 18.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -56.46 12.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.69 39.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.655 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -98.62 -19.3 17.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.971 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.622 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 79.0 t -84.47 -38.55 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.062 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.6 m -66.14 -51.03 61.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 36.5 t80 -56.96 -30.72 64.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.476 ' HB3' HD11 ' A' ' 105' ' ' LEU . 3.2 m-70 -66.76 -35.37 79.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -62.68 -11.28 16.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -121.54 -28.28 4.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -125.79 111.72 24.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.689 ' HD3' HD21 ' A' ' 104' ' ' LEU . 52.9 Cg_endo -69.73 -168.35 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.635 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -99.31 151.78 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.0 tt0 -41.74 -58.76 2.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.635 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.8 Cg_endo -69.79 -51.01 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.742 2.294 . . . . 0.0 112.308 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' ILE . 71.2 mmt-85 -96.22 117.56 31.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -14.42 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -54.48 144.94 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.689 HD21 ' HD3' ' A' ' 97' ' ' PRO . 14.4 mt -108.94 169.31 8.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 93' ' ' HIS . 10.2 mt -97.12 159.64 14.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.613 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.6 p -123.45 -54.48 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -150.94 152.74 32.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.558 0.694 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 144.39 53.79 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.608 2.205 . . . . 0.0 112.369 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 47.8 t -74.01 162.38 29.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 6.4 mmt180 -120.48 135.9 54.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -51.15 151.39 2.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.795 ' HD2' HD21 ' A' ' 31' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.936 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.606 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.1 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.605 0.717 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.8 172.37 12.8 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -82.13 -40.59 21.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.502 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 61.1 p-90 -57.79 -15.23 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -95.39 89.78 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -86.44 40.03 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.81 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 39.46 -102.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.657 ' HB1' ' NE2' ' A' ' 46' ' ' HIS . . . -131.35 90.13 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.711 0.291 . . . . 0.0 111.072 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.418 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 19.7 pt -99.93 174.29 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.8 p -100.99 139.69 36.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 14.1 ttm180 -34.63 -38.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.02 -52.16 51.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -57.36 -38.01 73.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.74 71.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.1 -36.61 82.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.34 -23.47 57.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mt -76.0 -28.97 58.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.722 HD22 ' O ' ' A' ' 39' ' ' SER . 46.4 mt -95.58 -28.83 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.2 pt-20 -50.44 -47.96 56.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 58.0 m -86.07 21.67 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -123.05 153.24 64.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 149.77 67.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -47.31 131.21 13.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.612 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 110.17 -27.32 11.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.722 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.2 m -52.37 106.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 110.822 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.665 ' HB3' HD22 ' A' ' 105' ' ' LEU . 32.8 p90 -97.18 160.45 14.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.823 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.803 HD22 ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -164.71 164.07 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.803 ' N ' HD22 ' A' ' 41' ' ' LEU . 30.4 mt -134.89 158.0 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.523 ' N ' HG22 ' A' ' 42' ' ' ILE . 6.2 ptm180 -150.86 109.78 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' ARG . 51.5 t -34.73 138.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -86.51 148.57 25.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.657 ' NE2' ' HB1' ' A' ' 22' ' ' ALA . 27.3 m-70 -120.62 -35.71 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.1 p -71.28 -25.83 62.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 4.2 p-80 -147.6 121.51 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.615 ' O ' HG13 ' A' ' 49' ' ' VAL . 9.3 p -41.81 108.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 154.89 -144.31 10.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.504 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 4.2 m-85 -141.89 -175.55 4.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 110.956 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.6 m -148.31 106.55 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.776 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.0 tm? -79.67 130.83 35.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.574 ' N ' HD13 ' A' ' 53' ' ' LEU . 2.9 m -141.42 159.65 41.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.482 ' CD2' HD21 ' A' ' 105' ' ' LEU . 30.0 p90 -173.68 153.4 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -69.1 126.45 29.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.535 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -118.62 143.26 46.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.495 ' N ' HD21 ' A' ' 37' ' ' LEU . 22.7 mm-40 -34.79 -47.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -68.67 -65.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m -174.64 154.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.9 t -42.55 140.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.39 175.61 5.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -150.75 105.12 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.574 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.833 ' CD2' HG21 ' A' ' 98' ' ' ILE . 24.4 m-85 -103.22 123.99 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.8 ptm -76.97 138.8 39.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.0 t -119.63 114.56 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -87.34 163.89 16.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.542 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 3.3 tt -109.98 102.68 11.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.687 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.9 mm? -51.93 -177.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -91.1 -19.68 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -86.69 26.79 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.33 20.98 61.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.4 p -111.35 -175.46 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.542 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 30.7 m-85 -136.43 145.55 45.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.662 ' HB3' HD21 ' A' ' 69' ' ' LEU . 6.9 ttt -156.0 136.39 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.678 HG23 ' HD2' ' A' ' 77' ' ' PRO . 69.6 mt -79.61 138.92 54.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.682 0.753 . . . . 0.0 111.065 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.678 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.83 84.3 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.28 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.66 -18.6 1.13 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -84.49 -178.11 6.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.67 18.65 8.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.483 HG21 ' CE1' ' A' ' 92' ' ' PHE . 3.4 m -146.75 159.54 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.481 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -128.81 -175.45 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.494 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 14.7 m-70 -159.65 156.25 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.845 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.2 p -65.32 -52.82 51.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.6 m -138.9 177.13 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.779 HD12 ' CD1' ' A' ' 42' ' ' ILE . 2.8 mm? -52.69 -49.6 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.51 -57.2 4.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.36 -7.63 48.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.526 HD22 ' CD1' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -100.49 -18.98 16.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 86' ' ' LEU . 76.9 t -87.01 -46.7 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.4 m -54.64 -37.69 65.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.483 ' CE1' HG21 ' A' ' 81' ' ' VAL . 35.8 t80 -73.01 -31.41 64.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -66.91 -30.28 70.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -66.93 -14.21 62.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -116.15 -25.64 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -125.94 116.23 24.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.784 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.4 Cg_endo -69.81 -168.12 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.833 HG21 ' CD2' ' A' ' 64' ' ' PHE . 1.7 mm -98.34 141.24 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.8 tt0 -36.68 -58.68 1.0 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.745 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.1 Cg_endo -69.72 -46.86 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.734 2.289 . . . . 0.0 112.326 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' ILE . 28.2 mmt180 -103.13 114.64 29.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.85 17.75 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -84.78 134.02 34.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.784 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.7 mt -97.51 179.43 4.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' A' ' 40' ' ' PHE . 21.1 mt -107.9 169.75 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.981 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.612 HG23 ' HA3' ' A' ' 38' ' ' GLY . 9.1 p -131.61 -59.33 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.402 ' N ' ' OG1' ' A' ' 106' ' ' THR . 12.1 pt20 -146.46 152.83 46.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.28 50.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 41.1 t -79.74 158.49 26.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -115.95 136.25 53.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.01 155.37 20.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.946 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.416 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 5.7 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.649 0.738 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.536 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.85 179.63 3.61 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.487 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.0 pt-20 -82.74 -41.95 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.827 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.615 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 62.7 p-90 -58.54 -17.13 18.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CE1' ' HA2' ' A' ' 21' ' ' GLY . 44.0 t80 -95.15 95.73 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.465 ' O ' HG23 ' A' ' 23' ' ' ILE . 12.6 m-70 -89.95 37.71 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.539 ' HA2' ' CE1' ' A' ' 19' ' ' PHE . . . 46.03 -112.97 0.92 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.29 97.65 5.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.727 0.298 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 20' ' ' HIS . 31.0 pt -105.61 173.22 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.162 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.405 ' CB ' ' OE2' ' A' ' 26' ' ' GLU . 2.0 m -97.98 160.97 13.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -54.0 -44.61 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 8.6 pm0 -67.04 -30.31 70.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' N ' ' HG2' ' A' ' 26' ' ' GLU . 94.0 m-20 -67.91 -65.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -37.69 -50.3 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -60.57 -40.71 92.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' ASP . 16.5 m-20 -72.96 -24.68 60.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.24 -27.96 59.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.993 HD21 HD12 ' A' ' 41' ' ' LEU . 44.7 mt -97.1 -29.15 13.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.7 pt-20 -50.43 -48.65 56.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.2 t -85.61 24.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -126.8 153.88 75.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 149.29 66.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.656 2.238 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.604 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -46.66 135.03 9.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 106.81 -30.63 9.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 m -46.86 121.0 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.99 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.0 p90 -111.94 161.02 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.993 HD12 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -165.64 150.89 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.723 HD13 HD12 ' A' ' 86' ' ' LEU . 21.3 mt -121.09 141.83 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.426 ' CB ' HG12 ' A' ' 23' ' ' ILE . 19.2 ptt85 -135.08 115.89 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' ARG . 72.8 t -37.49 119.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.7 t -72.76 148.25 44.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -117.42 -41.42 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.0 m -56.25 -64.57 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -108.61 143.85 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.635 ' O ' HG13 ' A' ' 49' ' ' VAL . 13.6 p -57.37 109.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.92 -151.95 23.95 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -127.06 168.02 15.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.6 m -132.62 106.55 7.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -83.52 145.74 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.8 m -150.66 161.74 42.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE2' ' CE1' ' A' ' 64' ' ' PHE . 6.4 p90 -174.4 147.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -64.0 129.06 38.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.517 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -119.85 141.96 49.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.449 ' N ' HD21 ' A' ' 37' ' ' LEU . 19.0 mt-30 -34.26 -44.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 t -73.66 -63.14 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -173.08 163.85 4.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.808 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.5 t -43.08 142.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.8 m -119.2 154.84 32.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -135.81 106.28 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.383 1.052 . . . . 0.0 109.572 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE2' HG13 ' A' ' 98' ' ' ILE . 38.5 m-85 -102.32 139.19 38.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.4 ptm -91.75 134.33 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.7 t -115.67 99.57 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -69.39 160.38 31.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.7 tm? -114.24 115.23 27.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.577 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.1 mm? -75.99 156.33 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.87 -7.78 43.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -91.9 13.03 19.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.99 19.75 78.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.559 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.422 ' O ' HD22 ' A' ' 68' ' ' LEU . 76.5 p -109.76 177.23 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.777 0.322 . . . . 0.0 111.183 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.481 ' CD1' HD23 ' A' ' 68' ' ' LEU . 8.7 m-85 -136.44 126.85 26.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.482 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.7 tpt -138.25 144.68 40.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 77' ' ' PRO . 41.2 mt -94.7 138.53 22.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.4 Cg_endo -69.74 79.91 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 167.62 -36.79 0.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.25 -175.38 2.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -123.79 7.8 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.28 147.64 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.71 -175.42 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 30.9 m-70 -151.13 155.96 40.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 56.1 p -72.89 -37.85 67.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.5 m -153.82 159.81 41.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.723 HD12 HD13 ' A' ' 42' ' ' ILE . 3.2 mm? -39.71 -52.07 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -44.74 -55.14 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.66 -11.42 60.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.573 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.72 -20.29 18.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.614 HG11 ' CE1' ' A' ' 40' ' ' PHE . 99.3 t -85.53 -49.8 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.3 m -54.48 -47.19 73.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -61.69 -41.34 97.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.9 m-70 -58.96 -42.19 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -47.8 -20.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -111.1 -28.07 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.89 117.36 29.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.514 0.673 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.3 Cg_endo -69.77 -174.32 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.785 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.2 mm -95.04 141.05 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.083 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.0 OUTLIER -36.3 -58.37 0.98 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.672 0.749 . . . . 0.0 110.902 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.2 Cg_endo -69.77 -49.94 0.51 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.599 2.2 . . . . 0.0 112.373 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -100.49 114.89 28.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -5.63 50.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -62.63 138.65 58.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.483 HD21 ' HD3' ' A' ' 97' ' ' PRO . 11.3 mt -104.67 168.47 9.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.99 HD22 ' HB3' ' A' ' 40' ' ' PHE . 35.5 mt -93.72 163.93 13.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.561 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.9 p -130.83 -57.78 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.409 ' N ' ' OG1' ' A' ' 106' ' ' THR . 10.1 pt20 -149.04 151.64 34.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.429 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.1 Cg_endo -69.71 143.45 51.13 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.748 2.299 . . . . 0.0 112.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 9.0 t -76.89 167.98 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.487 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 8.5 mmt180 -124.8 137.61 54.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -51.65 169.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.92 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' HD2' ' A' ' 16' ' ' PRO . 14.5 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 121.596 0.712 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.514 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.3 Cg_endo -69.82 178.46 4.59 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.626 2.217 . . . . 0.0 112.374 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -90.49 -27.58 19.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.482 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 61.2 p-90 -73.11 -5.27 38.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 81.6 t80 -102.4 102.58 12.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.489 ' HE1' HD22 ' A' ' 31' ' ' LEU . 29.0 m-70 -96.11 39.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.49 ' HA2' ' CE2' ' A' ' 19' ' ' PHE . . . 40.25 -104.71 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.09 94.83 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.405 HG12 ' CB ' ' A' ' 43' ' ' ARG . 19.0 pt -103.65 175.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' GLU . 18.8 m -99.53 145.6 27.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' NH1' ' OE2' ' A' ' 29' ' ' GLU . 3.0 tmm_? -39.63 -29.27 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' SER . 8.9 mt-10 -79.22 -49.93 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -51.47 -45.15 62.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.4 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -57.61 -54.16 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 25' ' ' ARG . 18.8 mt-10 -60.6 -38.75 85.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -73.99 -25.34 59.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.489 HD22 ' HE1' ' A' ' 20' ' ' HIS . 5.1 mt -74.27 -27.35 60.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.64 HD11 ' CD1' ' A' ' 41' ' ' LEU . 25.3 mt -97.8 -28.47 13.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 34' ' ' SER . 8.1 pt-20 -51.98 -44.93 64.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 17.8 m -88.19 18.19 4.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -117.36 156.53 48.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 149.76 66.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -49.67 130.26 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.625 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 108.51 -23.3 24.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.49 ' O ' HD22 ' A' ' 32' ' ' LEU . 22.2 m -56.13 119.41 5.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.766 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.4 p90 -108.21 168.33 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.737 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -170.59 162.35 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.694 ' N ' HD22 ' A' ' 41' ' ' LEU . 11.4 mt -132.57 147.31 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 44' ' ' VAL . 18.4 ptt85 -139.82 115.48 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' ARG . 53.0 t -33.94 139.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 t -124.86 130.34 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -95.05 -16.73 22.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 t -52.0 -62.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 50' ' ' GLY . 17.5 p-80 -114.15 43.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.4 p 34.39 32.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.234 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.602 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -123.1 -127.39 3.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 21.5 m-85 -152.61 162.64 40.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.8 m -124.61 110.8 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 tp -90.56 129.13 36.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.1 m -138.49 161.5 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.464 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 14.0 p90 -169.59 145.76 3.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -63.14 127.57 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -121.3 145.2 48.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 57' ' ' ALA . 20.8 mp0 -35.02 -43.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 t -74.62 -72.25 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -164.94 158.34 17.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.1 t -43.88 137.73 3.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.2 m -111.67 163.87 13.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -143.24 108.54 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.616 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.583 ' CD1' HG21 ' A' ' 98' ' ' ILE . 36.9 m-85 -110.6 135.57 51.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.6 ptm -91.39 141.04 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.7 t -123.8 108.08 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -75.55 169.56 17.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.564 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.7 tt -115.17 84.92 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.648 ' N ' HD23 ' A' ' 69' ' ' LEU . 2.0 mt -39.8 144.62 0.18 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.86 -15.94 60.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -86.05 24.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.74 23.43 67.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.574 ' OG1' HD12 ' A' ' 69' ' ' LEU . 75.4 p -121.93 168.19 12.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.087 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 7.0 m-85 -124.1 136.87 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.504 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.1 ttt -149.93 134.86 17.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.5 mt -77.29 132.08 70.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.651 0.738 . . . . 0.0 111.179 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 83.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.318 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.0 -17.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 99' ' ' GLU . 32.5 mm-40 -99.37 -175.97 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.977 0.418 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -121.54 20.44 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.22 157.01 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.416 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -129.38 -177.4 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 12.3 m-70 -155.05 150.51 27.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.2 p -58.6 -48.54 80.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.171 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.572 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 37.4 m -148.83 162.56 39.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.984 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.1 mp -39.17 -44.91 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -50.08 -61.29 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.67 -7.35 26.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.556 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.38 -22.93 16.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.954 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.984 HG23 ' O ' ' A' ' 86' ' ' LEU . 16.4 t -80.0 -46.65 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.0 m -60.49 -40.75 92.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -68.97 -26.06 64.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 5.0 m-70 -73.0 -37.69 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -58.06 -19.23 30.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -110.43 -25.0 10.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -124.58 116.91 26.5 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -175.6 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.623 2.215 . . . . 0.0 112.332 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.729 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -93.13 142.6 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.3 tt0 -36.75 -58.51 1.04 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.729 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.82 -48.73 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.313 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -99.47 114.44 27.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -3.99 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.56 144.64 55.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 mt -107.16 175.19 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.766 HD22 ' HB3' ' A' ' 40' ' ' PHE . 13.2 mt -99.84 164.59 11.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.625 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.7 p -124.06 -55.12 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -153.17 152.5 27.98 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.625 0.726 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.59 54.5 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.9 t -76.84 166.28 23.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -122.12 131.7 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -54.51 172.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.409 ' HG3' HD21 ' A' ' 31' ' ' LEU . 44.9 mttm . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.545 HG23 ' HD2' ' A' ' 16' ' ' PRO . 12.6 p . . . . . 0 C--O 1.231 0.08 0 CA-C-O 121.696 0.76 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.545 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.4 Cg_endo -69.87 176.34 6.99 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.62 2.213 . . . . 0.0 112.345 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.456 ' OE2' ' NE ' ' A' ' 110' ' ' ARG . 5.5 pt-20 -88.22 -34.13 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.424 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 56.3 p-90 -69.37 -5.26 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -103.31 94.01 5.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -89.31 34.9 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 46.54 -110.81 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.468 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.37 99.04 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.446 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 12.8 pt -108.74 169.75 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.9 m -96.59 165.12 12.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -43.02 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.67 -37.69 82.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -49.91 69.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.27 -48.92 73.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -66.72 -39.73 88.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -72.22 -23.71 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.13 -28.57 57.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.795 HD21 HD12 ' A' ' 41' ' ' LEU . 33.5 mt -97.18 -27.53 14.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.595 ' HA ' ' HZ3' ' A' ' 56' ' ' LYS . 5.7 pt-20 -51.6 -49.71 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.4 t -85.38 25.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -124.77 154.72 70.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 149.61 66.71 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.688 2.259 . . . . 0.0 112.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -48.94 130.81 18.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.566 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 109.48 -22.41 24.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.502 ' O ' HD22 ' A' ' 32' ' ' LEU . 19.4 m -57.47 120.15 7.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.384 . . . . 0.0 110.851 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.752 ' HB3' HD22 ' A' ' 105' ' ' LEU . 44.6 p90 -111.87 164.42 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.835 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -167.14 155.43 9.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.653 HG21 ' CD2' ' A' ' 86' ' ' LEU . 57.7 mt -125.58 142.95 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 15.6 ptt85 -132.73 114.44 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' ARG . 94.4 t -35.3 130.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -113.92 91.62 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -65.61 -25.12 67.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.776 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -46.62 -67.01 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 49' ' ' VAL . 2.1 p-80 -101.78 43.65 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.2 p 32.56 37.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -134.95 -131.9 3.11 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.617 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 12.9 m-85 -151.89 169.43 22.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.014 0.435 . . . . 0.0 110.976 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.1 m -134.86 122.87 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.7 tp -96.65 133.97 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 m -144.27 161.24 39.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.45 ' HB3' ' CB ' ' A' ' 40' ' ' PHE . 48.5 p90 -170.63 150.9 3.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.595 ' HZ3' ' HA ' ' A' ' 33' ' ' GLU . 17.1 tptt -64.75 129.18 38.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -120.16 146.74 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' ALA . 16.4 mm-40 -35.24 -49.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -70.43 -65.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 11.2 t -167.13 173.91 8.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 79.3 m -55.56 133.91 50.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.5 m -109.25 161.51 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -141.03 122.58 15.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.617 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.454 ' CD1' HG21 ' A' ' 98' ' ' ILE . 58.3 m-85 -127.47 106.7 9.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -65.63 148.48 51.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.622 HG22 HG12 ' A' ' 76' ' ' ILE . 96.3 t -127.85 114.43 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -81.16 159.15 24.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.567 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 2.2 tt -103.47 95.27 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.9 mm? -45.35 165.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -76.07 -20.35 57.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 71' ' ' ASP . 14.4 t0 -84.77 21.1 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.93 9.34 59.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.527 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.1 p -99.4 -177.36 3.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 111.15 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 55.1 m-85 -132.22 145.97 51.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.709 ' HB3' HD21 ' A' ' 69' ' ' LEU . 7.1 ttt -155.16 146.49 22.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.659 HG23 ' HD2' ' A' ' 77' ' ' PRO . 80.1 mt -93.46 138.43 23.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.556 0.694 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.3 Cg_endo -69.74 79.96 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.06 -19.92 0.49 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -88.74 179.68 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.64 17.17 10.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.16 161.14 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -135.45 179.15 6.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.52 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 21.0 m-70 -150.24 162.76 39.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.5 p -72.29 -53.45 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -136.53 154.6 50.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.653 ' CD2' HG21 ' A' ' 42' ' ' ILE . 7.0 mp -38.0 -45.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -49.13 -58.29 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.64 -7.39 38.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.57 -25.29 15.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 86' ' ' LEU . 80.5 t -79.49 -51.14 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 96.1 m -55.04 -47.87 74.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.446 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 38.6 t80 -60.71 -37.79 82.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 3.9 m-70 -58.55 -48.77 79.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -43.0 -24.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 93' ' ' HIS . 47.6 mt-30 -108.21 -22.46 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 3.9 mmmt -127.08 108.43 21.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.563 ' HD3' HD21 ' A' ' 104' ' ' LEU . 54.8 Cg_endo -69.67 -167.8 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.41 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.786 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.3 mm -92.94 144.56 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.1 tt0 -39.26 -58.52 1.83 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.656 0.741 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.786 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.67 -49.73 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -98.52 115.75 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -16.64 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.5 126.59 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.563 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.9 mt -93.84 173.36 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 40' ' ' PHE . 25.3 mt -91.5 172.68 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.515 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.8 p -131.72 -58.57 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.427 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.9 pt20 -150.3 150.52 29.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 143.89 51.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 17.2 t -80.45 164.73 22.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.456 ' NE ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 mmt85 -120.22 139.42 52.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -55.8 161.94 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.835 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.497 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.1 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.682 0.753 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.595 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.7 Cg_endo -69.71 176.77 6.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -82.52 -39.66 22.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.616 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 62.9 p-90 -60.38 -19.52 56.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -93.28 88.0 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.761 ' O ' HG23 ' A' ' 23' ' ' ILE . 13.9 m-70 -85.54 36.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.08 -148.11 6.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.538 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.15 81.08 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 111.055 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.761 HG23 ' O ' ' A' ' 20' ' ' HIS . 28.2 pt -87.78 171.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -90.55 171.75 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -60.64 -40.62 92.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.14 -38.08 69.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.52 -53.95 52.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' CA ' HD12 ' A' ' 23' ' ' ILE . . . -55.85 -48.72 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -64.3 -39.36 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -72.79 -29.34 63.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.49 HD22 ' CE1' ' A' ' 20' ' ' HIS . 5.5 mt -70.39 -29.83 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.831 HD21 HD12 ' A' ' 41' ' ' LEU . 71.1 mt -93.52 -34.77 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 34' ' ' SER . 4.6 pt-20 -46.64 -47.31 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.496 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.1 t -88.16 27.21 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -126.7 156.0 74.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 149.18 66.63 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.65 2.234 . . . . 0.0 112.393 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.649 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -48.82 132.03 18.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.649 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 108.95 -29.22 9.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -47.85 115.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.918 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.694 ' CE1' HG11 ' A' ' 90' ' ' VAL . 19.9 p90 -109.68 149.99 28.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.843 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -156.92 158.71 37.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.616 HD12 ' CZ3' ' A' ' 18' ' ' TRP . 88.1 mt -124.44 155.0 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.46 ' N ' HG22 ' A' ' 42' ' ' ILE . 23.6 ptt85 -147.42 127.22 13.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -51.79 128.92 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -76.03 165.7 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -126.32 -55.71 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.6 t -49.73 -51.96 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -122.21 132.13 54.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.59 125.48 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.84 -144.84 13.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -139.15 175.2 9.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.958 0.409 . . . . 0.0 110.956 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.5 m -141.16 107.07 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.108 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.8 tp -82.91 146.18 28.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.9 m -153.66 165.89 34.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -175.23 145.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -64.49 121.5 14.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -114.77 144.09 44.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ALA . 32.3 mm-40 -35.06 -41.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.94 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -74.78 -68.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.2 m -169.86 166.6 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 88.7 m -51.72 131.75 30.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.7 m -110.17 151.15 27.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -132.57 113.92 13.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.635 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.922 ' CD2' HG21 ' A' ' 98' ' ' ILE . 11.4 m-85 -111.87 129.57 56.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.4 ptm -84.99 140.89 30.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.9 t -123.69 118.14 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -89.02 164.1 15.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -104.05 113.5 27.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 75' ' ' MET . 3.0 mm? -70.11 166.29 20.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.76 -23.68 60.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 73' ' ' THR . 4.2 m-20 -84.36 27.59 0.69 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.15 28.83 59.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 71' ' ' ASP . 72.2 p -116.88 -177.32 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 111.134 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -136.02 138.01 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.587 ' HB3' HD21 ' A' ' 69' ' ' LEU . 6.6 ttt -146.67 141.65 27.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 77' ' ' PRO . 54.7 mt -83.98 137.12 40.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.68 0.752 . . . . 0.0 111.075 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.74 85.15 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.731 2.287 . . . . 0.0 112.337 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.72 -22.1 1.03 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -83.61 -175.72 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -126.87 17.45 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 m -145.0 162.22 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.56 -178.35 5.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.451 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 32.2 m-70 -153.85 161.91 41.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.3 p -71.22 -52.09 20.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 86' ' ' LEU . 4.1 m -140.72 155.95 46.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.788 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.9 mm? -35.88 -47.04 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -47.28 -61.98 1.64 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.48 -10.93 38.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.54 -20.91 18.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 86' ' ' LEU . 74.9 t -80.17 -42.33 21.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.9 m -60.43 -52.95 63.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.465 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 32.2 t80 -55.85 -37.41 68.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 6.2 m-70 -59.12 -40.75 86.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -57.43 -15.58 7.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -112.58 -30.09 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 11.1 mmmt -122.15 118.52 29.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.524 0.678 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.604 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.8 Cg_endo -69.77 -175.89 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.249 . . . . 0.0 112.314 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.922 HG21 ' CD2' ' A' ' 64' ' ' PHE . 3.2 mm -92.68 137.23 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.0 OUTLIER -34.15 -58.4 0.61 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.872 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.77 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.294 . . . . 0.0 112.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -96.49 114.17 25.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 102' ' ' ARG . 5.2 ppt_? -85.05 36.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -109.15 136.58 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.604 HD21 ' HD3' ' A' ' 97' ' ' PRO . 15.6 mt -94.45 169.59 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 40' ' ' PHE . 28.3 mt -95.37 173.65 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.476 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 11.2 p -133.69 -62.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.435 ' N ' ' OG1' ' A' ' 106' ' ' THR . 20.6 pt20 -147.75 152.67 41.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.72 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.445 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.1 Cg_endo -69.73 142.26 47.58 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.724 2.282 . . . . 0.0 112.283 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 44.4 t -74.53 162.49 28.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 108' ' ' PRO . 11.2 mmt-85 -118.04 131.15 56.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -58.86 147.9 32.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 t . . . . . 0 C--O 1.232 0.158 0 CA-C-O 121.659 0.742 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -172.97 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.721 2.28 . . . . 0.0 112.342 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -95.53 -39.29 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.643 ' CE3' HD12 ' A' ' 42' ' ' ILE . 66.6 p-90 -62.44 -9.11 7.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -100.17 89.87 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.466 ' O ' HG23 ' A' ' 23' ' ' ILE . 32.6 m-70 -88.5 33.92 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.81 -128.25 15.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.54 97.38 7.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 111.171 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.64 ' CD1' ' HB2' ' A' ' 28' ' ' ALA . 12.3 pt -113.94 170.53 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ARG . 6.5 t -100.98 147.31 26.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' SER . 26.5 ttp180 -37.2 -49.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 12.1 pt-20 -54.21 -48.23 71.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 6.5 m-20 -59.62 -61.51 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -48.02 -46.83 33.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -64.33 -36.91 85.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -72.32 -28.84 63.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' CD2' ' HG2' ' A' ' 112' ' ' LYS . 3.9 mt -72.13 -30.41 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.772 HD11 HD12 ' A' ' 41' ' ' LEU . 53.5 mt -91.09 -25.23 19.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 34' ' ' SER . 4.5 pt-20 -55.24 -38.49 68.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' A' ' 33' ' ' GLU . 3.2 m -97.34 21.27 10.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -119.33 156.39 52.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.57 0.7 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.0 69.3 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -52.4 128.17 24.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.528 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 111.0 -19.42 25.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.426 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.3 m -59.51 116.35 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 0.0 110.78 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.968 ' HB3' HD22 ' A' ' 105' ' ' LEU . 24.7 p90 -106.55 158.23 17.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.941 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.84 146.45 9.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.643 HD12 ' CE3' ' A' ' 18' ' ' TRP . 78.5 mt -116.73 149.68 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.451 ' CB ' ' CG1' ' A' ' 23' ' ' ILE . 16.6 ptt85 -140.95 114.18 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.792 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' ARG . 43.4 t -34.9 128.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -87.06 150.69 23.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -120.76 -43.26 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.7 p -48.38 -51.53 26.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -127.67 153.03 46.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 49' ' ' VAL . 11.9 p -61.49 114.58 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.52 -151.14 23.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.473 ' CD2' HD11 ' A' ' 86' ' ' LEU . 43.0 m-85 -135.71 169.63 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.01 0.433 . . . . 0.0 110.839 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.1 m -129.76 115.47 17.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.212 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.53 141.41 28.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.7 m -149.4 164.92 33.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.596 ' CD2' HD21 ' A' ' 105' ' ' LEU . 17.8 p90 -175.08 148.41 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -65.84 129.61 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.441 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -122.15 149.15 44.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -39.58 -40.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.4 m -77.64 -69.21 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.8 p -167.12 166.11 15.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.9 p -47.48 133.08 13.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 29.9 m -109.49 148.87 30.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -132.1 122.86 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.602 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.685 ' CD2' HG21 ' A' ' 98' ' ' ILE . 16.6 m-85 -124.89 132.66 53.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.814 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.7 ptm -88.15 141.81 28.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.442 HG22 HG12 ' A' ' 76' ' ' ILE . 48.1 t -121.16 111.6 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -78.6 162.67 26.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 tt -110.34 97.72 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.8 mm? -52.31 175.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.89 -23.32 33.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -85.25 28.39 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.93 29.72 62.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.0 p -116.27 179.74 3.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 0.0 111.159 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.431 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 16.2 m-85 -135.48 137.79 42.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.672 ' HB3' HD21 ' A' ' 69' ' ' LEU . 3.2 ttt -150.01 126.24 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 77' ' ' PRO . 57.1 mt -71.08 138.4 84.77 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.64 0.733 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.9 Cg_endo -69.73 94.92 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.722 2.281 . . . . 0.0 112.386 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.4 -23.09 1.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.538 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -90.03 179.07 6.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 2.7 mppt? -120.78 21.12 11.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 m -143.3 169.98 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.77 177.85 8.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.511 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 21.8 m-70 -147.66 161.89 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.9 p -67.84 -54.22 20.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.406 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 2.9 m -143.72 159.45 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.959 ' O ' HG23 ' A' ' 90' ' ' VAL . 32.4 mt -37.84 -46.49 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.17 -56.41 9.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.36 -9.72 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.547 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.36 -18.58 19.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.931 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 86' ' ' LEU . 42.2 t -82.76 -28.58 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.0 m -75.27 -48.08 24.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -62.69 -29.57 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.408 ' O ' ' CD2' ' A' ' 104' ' ' LEU . 3.4 m-70 -69.15 -36.4 77.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.49 -12.0 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -115.84 -32.19 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -119.25 118.46 32.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.525 0.679 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.12 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.382 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.858 HG22 ' HD2' ' A' ' 100' ' ' PRO . 3.1 mm -95.24 141.58 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -35.53 -58.31 0.83 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.651 0.738 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.858 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.7 Cg_endo -69.82 -50.24 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.252 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -99.71 115.69 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -8.0 57.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.32 142.84 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.408 ' CD2' ' O ' ' A' ' 93' ' ' HIS . 13.6 mt -105.2 -175.24 2.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.968 HD22 ' HB3' ' A' ' 40' ' ' PHE . 45.3 mt -107.22 171.28 7.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.528 HG23 ' HA3' ' A' ' 38' ' ' GLY . 6.8 p -134.56 -57.7 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -149.84 151.92 33.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.733 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 142.85 49.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.616 2.21 . . . . 0.0 112.349 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.7 155.37 33.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -115.49 135.48 54.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HG3' ' ND1' ' A' ' 20' ' ' HIS . 18.5 mp0 -53.04 168.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.43 ' HG2' ' CD2' ' A' ' 31' ' ' LEU . 29.6 mmtt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.598 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.9 p . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.638 0.732 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.3 Cg_endo -69.71 178.49 4.49 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -89.14 -40.22 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.434 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 59.0 p-90 -57.23 -12.79 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -94.72 82.55 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.567 ' O ' HG23 ' A' ' 23' ' ' ILE . 15.6 m-70 -82.3 42.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 38.91 -146.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.0 96.06 10.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.694 0.283 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 20' ' ' HIS . 12.5 pt -105.12 170.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ASP . 2.2 t -96.67 141.95 29.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 24' ' ' SER . 7.4 ttm-85 -35.52 -38.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.27 -45.94 75.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 6.6 m-20 -57.74 -54.67 44.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.93 -59.23 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.86 -43.7 81.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -68.36 -21.52 64.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.409 HD21 ' H ' ' A' ' 112' ' ' LYS . 6.3 mt -79.21 -33.35 43.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.716 HD21 HD12 ' A' ' 41' ' ' LEU . 15.2 mt -92.02 -26.31 18.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.526 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.1 pt-20 -50.9 -49.43 59.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.526 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 3.6 m -86.79 21.61 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -119.05 155.39 53.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.563 0.696 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 151.24 69.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -51.48 127.57 20.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.581 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 112.55 -22.19 17.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.585 ' O ' HD22 ' A' ' 32' ' ' LEU . 10.9 m -57.32 115.54 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.911 ' HB3' HD22 ' A' ' 105' ' ' LEU . 39.6 p90 -107.5 163.63 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.806 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -168.93 154.99 6.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.583 ' N ' HD22 ' A' ' 41' ' ' LEU . 63.9 mt -127.45 143.08 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.455 ' CB ' HG12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -137.1 140.0 41.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 44' ' ' VAL . 3.9 t -55.05 125.05 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -82.96 166.35 18.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -127.28 -31.07 2.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -63.46 -61.57 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 65' ' ' MET . 6.8 p-80 -107.01 159.06 16.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.6 t -77.73 104.98 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.517 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 156.25 -125.93 1.71 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 26.2 m-85 -149.67 -175.65 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.009 0.433 . . . . 0.0 110.875 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 64' ' ' PHE . 96.4 m -151.0 129.88 12.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.105 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -101.51 145.1 29.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.511 ' O ' HD13 ' A' ' 41' ' ' LEU . 67.4 m -152.45 149.74 28.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.636 ' CD2' HD21 ' A' ' 105' ' ' LEU . 17.1 p90 -159.72 152.23 21.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -64.8 128.67 36.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -119.33 141.44 49.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.456 ' N ' HD21 ' A' ' 37' ' ' LEU . 20.2 mt-30 -35.88 -38.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -80.92 -62.57 1.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 19.4 p -171.8 161.02 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.837 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.0 m -45.54 141.55 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.8 p -117.26 157.25 26.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.45 ' HD1' ' HG ' ' A' ' 54' ' ' SER . 98.8 m-70 -137.15 124.74 22.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.596 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 52' ' ' THR . 23.3 m-85 -124.25 127.34 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.439 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 23.7 ptm -84.39 135.67 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.92 105.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.071 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -80.91 157.95 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.28 96.63 6.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.945 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.662 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.0 OUTLIER -49.48 177.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.48 -22.81 28.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -77.72 3.31 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.87 12.75 76.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.382 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.0 p -106.25 172.39 6.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.123 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.523 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 5.7 m-85 -123.46 130.52 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.662 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.4 ttt -139.26 134.29 32.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.656 HG23 ' HD2' ' A' ' 77' ' ' PRO . 81.7 mt -83.93 138.74 40.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.2 Cg_endo -69.75 80.97 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.25 -16.03 0.42 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' C ' ' HD3' ' A' ' 80' ' ' LYS . 22.2 mm-40 -94.9 158.92 15.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.986 0.422 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 20.8 mmtt -100.16 19.01 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.53 159.07 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.451 ' HB2' ' HB2' ' A' ' 75' ' ' MET . . . -125.4 -175.06 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 14.2 m-70 -151.69 150.6 30.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 p -56.62 -42.79 79.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.523 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 59.9 m -156.36 173.17 17.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.816 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.8 mp -48.49 -47.41 38.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -49.24 -56.43 9.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.25 43.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.574 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -100.03 -14.61 18.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 86' ' ' LEU . 57.6 t -87.69 -40.29 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.5 m -65.07 -38.89 92.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -71.88 -29.56 64.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -72.54 -27.32 62.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.69 -19.23 65.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -111.38 -27.73 8.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -122.86 119.1 28.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -176.0 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.26 . . . . 0.0 112.311 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.811 HG22 ' HD2' ' A' ' 100' ' ' PRO . 3.0 mm -94.95 146.14 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.534 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.2 tt0 -39.84 -58.4 2.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.811 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.3 Cg_endo -69.8 -50.63 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' ILE . 16.9 mmt180 -97.79 116.93 30.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.66 12.48 8.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.24 137.68 33.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 104' ' ' LEU . 11.3 mt -99.05 167.66 10.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.911 HD22 ' HB3' ' A' ' 40' ' ' PHE . 47.6 mt -95.39 164.82 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.581 HG23 ' HA3' ' A' ' 38' ' ' GLY . 3.6 p -129.25 -55.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -151.85 152.05 29.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 142.96 49.27 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 20.5 t -78.89 162.66 25.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -117.53 135.68 53.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 112' ' ' LYS . 4.4 pt20 -61.68 137.98 58.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 111' ' ' GLN . 12.5 mtpt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--O 1.23 0.063 0 CA-C-O 121.671 0.748 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -173.56 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.375 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -92.77 -27.2 17.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.546 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 59.1 p-90 -78.07 -4.21 46.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -109.02 88.92 2.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.427 ' CD2' HD23 ' A' ' 41' ' ' LEU . 27.3 m-70 -82.88 40.19 0.67 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.525 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 40.05 -100.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.92 97.99 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.435 HD11 ' HB3' ' A' ' 43' ' ' ARG . 10.0 pt -106.94 -177.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' ASP . 19.6 m -109.65 141.62 41.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' SER . 3.3 tmm_? -35.81 -34.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' SER . 13.0 pt-20 -70.49 -47.26 61.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -58.74 -51.71 68.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.58 -56.7 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -56.22 -42.07 76.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -71.16 -25.61 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.52 HD21 ' HG3' ' A' ' 112' ' ' LYS . 5.8 mt -73.77 -28.31 61.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.665 HD21 HD12 ' A' ' 41' ' ' LEU . 22.3 mt -97.2 -30.33 13.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.8 pt-20 -50.77 -47.83 59.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.4 t -87.57 25.54 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -124.93 154.3 71.03 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 149.47 66.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -48.64 129.2 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.536 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 112.08 -24.53 14.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.421 ' O ' HD22 ' A' ' 32' ' ' LEU . 49.9 m -55.04 117.83 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.974 0.416 . . . . 0.0 110.856 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.92 ' HB3' HD22 ' A' ' 105' ' ' LEU . 25.0 p90 -109.32 156.8 19.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.852 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -164.11 149.62 10.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.67 ' N ' HD22 ' A' ' 41' ' ' LEU . 66.3 mt -120.84 151.94 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.435 ' HB3' HD11 ' A' ' 23' ' ' ILE . 19.2 ptt85 -142.79 121.32 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 21' ' ' GLY . 52.9 t -40.42 126.26 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -80.92 158.61 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -127.83 -41.41 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 98.8 p -57.8 -50.8 72.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 65' ' ' MET . 6.8 p-80 -124.21 128.33 49.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -43.87 130.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 130.33 -138.76 10.43 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 1.031 ' CD2' HD11 ' A' ' 86' ' ' LEU . 15.0 m-85 -143.19 170.63 15.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.015 0.436 . . . . 0.0 110.924 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.0 m -133.2 121.08 22.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.66 142.34 27.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 m -154.62 153.55 31.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.426 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 52.8 p90 -162.92 167.91 21.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -81.71 126.82 32.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.461 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -121.39 144.87 48.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.473 ' N ' HD21 ' A' ' 37' ' ' LEU . 13.3 mm-40 -34.12 -49.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.8 t -65.16 -66.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m -174.99 167.74 3.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.5 m -49.44 132.22 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 t -117.81 167.48 11.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -141.74 148.85 39.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.524 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CD2' HG21 ' A' ' 98' ' ' ILE . 37.6 m-85 -143.64 130.93 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.574 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 23.1 ptm -86.07 139.88 30.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 98.6 t -124.41 107.71 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -78.0 172.28 13.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.579 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 tt -115.63 101.9 9.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.9 mm? -51.55 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.29 -24.99 20.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -80.94 10.51 4.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.67 17.39 77.57 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.567 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 65.9 p -104.08 -178.02 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.841 0.353 . . . . 0.0 111.126 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 27.6 m-85 -135.59 122.28 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' MET . . . . . 0.664 ' HB3' HD21 ' A' ' 69' ' ' LEU . 5.5 ttt -131.79 138.16 48.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 77' ' ' PRO . 51.3 mt -84.83 138.44 37.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 111.083 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.9 Cg_endo -69.68 81.88 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.386 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.07 -25.37 0.61 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.496 ' O ' ' CE ' ' A' ' 75' ' ' MET . 13.5 mm-40 -87.55 158.48 18.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.884 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' HD2' ' C ' ' A' ' 79' ' ' GLU . 12.1 mmmt -102.24 28.65 5.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.61 160.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.13 -175.82 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 11.7 m-70 -153.03 154.57 35.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.0 p -62.39 -54.19 43.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 6.0 m -145.24 162.62 36.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 1.031 HD11 ' CD2' ' A' ' 51' ' ' TYR . 85.5 mt -35.75 -51.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -58.69 3.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.08 -7.83 39.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.59 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.63 -21.63 17.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.485 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 69.7 t -82.34 -49.26 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.8 m -56.77 -51.71 67.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -56.6 -38.96 72.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.0 m-70 -60.44 -44.02 96.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -50.32 -21.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -110.73 -24.58 10.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -125.0 112.8 26.74 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.639 0.733 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.617 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.7 Cg_endo -69.79 -175.88 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.694 HG22 ' HD2' ' A' ' 100' ' ' PRO . 1.6 mm -83.3 158.86 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.524 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -53.42 -58.57 12.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 110.84 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.694 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.72 -51.1 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER -75.95 166.39 23.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.86 -21.26 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -67.82 143.89 55.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.617 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.4 mt -104.63 -176.7 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.92 HD22 ' HB3' ' A' ' 40' ' ' PHE . 50.6 mt -98.82 168.55 10.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.511 HG23 ' HA3' ' A' ' 38' ' ' GLY . 9.0 p -132.9 -60.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLN . . . . . 0.424 ' N ' ' OG1' ' A' ' 106' ' ' THR . 13.2 pt20 -146.62 149.62 37.45 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.604 0.716 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.439 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.2 Cg_endo -69.7 143.17 50.25 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.2 t -79.21 163.14 25.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 108' ' ' PRO . 11.2 mmt-85 -114.82 136.77 52.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -66.69 153.61 42.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.52 ' HG3' HD21 ' A' ' 31' ' ' LEU . 30.1 mtmt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.3 p -113.78 42.01 2.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.9 p -80.74 144.78 31.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.74 158.54 48.72 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 m -145.83 158.94 43.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.813 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -96.31 -45.83 6.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.78 132.66 2.55 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.427 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.72 166.61 32.03 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -130.41 96.89 4.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.928 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.8 tp -104.67 117.87 35.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -140.67 149.14 41.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.406 ' CD ' ' O ' ' A' ' 12' ' ' GLN . 2.3 pp0? -109.43 42.32 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -145.82 166.36 26.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -103.48 45.7 1.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.519 HG23 ' HD2' ' A' ' 16' ' ' PRO . 14.8 p -143.04 136.89 14.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.644 0.735 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.519 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.0 Cg_endo -69.72 174.43 9.48 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.678 2.252 . . . . 0.0 112.419 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.63 -40.67 14.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -60.38 -12.59 9.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -96.94 92.96 6.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 22' ' ' ALA . 19.5 m-70 -90.04 39.67 0.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.647 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 40.17 -97.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.453 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . -134.31 105.47 6.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.75 0.31 . . . . 0.0 111.079 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.592 HD11 ' HB2' ' A' ' 28' ' ' ALA . 51.0 pt -115.12 172.74 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.476 ' O ' ' N ' ' A' ' 27' ' ' ASP . 70.0 m -97.12 142.38 29.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 24' ' ' SER . 5.1 ttm180 -34.61 -39.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -71.83 -47.09 55.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 24' ' ' SER . 6.0 m-20 -48.72 -50.56 33.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.592 ' HB2' HD11 ' A' ' 23' ' ' ILE . . . -56.79 -62.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -50.18 -32.08 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -79.83 -26.29 40.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD21 ' HG2' ' A' ' 112' ' ' LYS . 3.8 mt -74.03 -26.18 60.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.972 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 41' ' ' LEU . 29.3 mt -97.31 -28.94 13.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.0 pt-20 -50.37 -47.78 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.2 t -86.83 16.87 4.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.823 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.407 ' CG ' ' O ' ' A' ' 31' ' ' LEU . 87.4 mm-40 -117.25 153.77 50.01 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.543 0.687 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 149.54 67.03 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.761 2.308 . . . . 0.0 112.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -46.42 133.09 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.573 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 108.59 -30.45 8.8 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.607 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.8 m -49.69 117.58 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.909 0.385 . . . . 0.0 110.839 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.925 ' HB3' HD22 ' A' ' 105' ' ' LEU . 32.2 p90 -108.93 167.86 9.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.681 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -169.6 160.1 8.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.946 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.467 HD13 HD22 ' A' ' 86' ' ' LEU . 46.9 mt -133.49 148.5 30.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.085 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.545 ' NH2' ' CE1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -141.29 135.18 30.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 21' ' ' GLY . 86.5 t -50.76 122.46 2.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 t -89.14 123.78 33.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -91.9 -46.72 7.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.5 m -43.45 -61.83 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 23.4 p-80 -121.04 126.04 48.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.7 p -41.39 133.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 130.87 -129.01 5.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD2' HD11 ' A' ' 86' ' ' LEU . 91.3 m-85 -155.0 179.95 8.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.4 . . . . 0.0 110.975 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.9 m -140.71 106.63 5.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.786 HD13 ' C ' ' A' ' 53' ' ' LEU . 1.8 tm? -83.33 128.58 34.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.914 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.531 ' N ' HD13 ' A' ' 53' ' ' LEU . 49.9 m -139.52 160.99 38.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.871 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.474 ' CD2' HD21 ' A' ' 105' ' ' LEU . 32.5 p90 -172.08 156.82 4.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -69.92 129.69 40.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -121.78 145.57 47.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.176 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.482 ' N ' HD21 ' A' ' 37' ' ' LEU . 5.2 mm-40 -34.87 -50.89 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.3 t -70.32 -60.2 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.527 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.1 m -174.3 169.29 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 35.4 t -48.66 136.77 12.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.489 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 99.1 m -111.89 145.81 38.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.545 ' CE1' ' NH2' ' A' ' 43' ' ' ARG . 88.2 m-70 -125.65 118.24 25.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.589 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CD2' HG21 ' A' ' 98' ' ' ILE . 25.8 m-85 -120.95 122.82 40.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.6 ptm -77.37 141.19 39.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -121.62 114.5 43.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 3.4 mtmp? -84.16 166.6 17.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.939 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.44 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 0.7 OUTLIER -117.01 95.66 5.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.685 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.1 mm? -52.19 161.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -74.05 -20.28 60.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -78.45 9.17 4.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.824 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.3 18.67 79.08 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.0 p -112.53 -175.72 2.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.559 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 15.6 m-85 -137.11 139.9 41.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.647 ' HB3' HD21 ' A' ' 69' ' ' LEU . 5.0 ttt -154.23 129.66 9.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.666 HG23 ' HD2' ' A' ' 77' ' ' PRO . 86.0 mt -71.05 138.61 84.88 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.593 0.711 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.666 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.75 86.68 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.768 2.312 . . . . 0.0 112.312 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.21 -11.7 1.2 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.525 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -93.42 -175.29 3.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.896 0.379 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -125.65 9.72 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.79 160.3 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -131.92 -177.6 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 17.0 m-70 -154.98 144.5 21.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 47.3 p -52.89 -39.72 62.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.559 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 13.0 m -157.78 173.49 16.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 90' ' ' VAL . 47.9 mt -49.27 -45.29 44.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -49.87 -57.78 6.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.9 -7.01 42.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.054 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.506 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -99.16 -23.9 15.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 86' ' ' LEU . 84.5 t -78.71 -34.5 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 81.3 m -68.97 -44.74 72.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -67.56 -27.63 67.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -72.81 -25.41 61.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -70.5 -16.44 62.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -113.4 -29.4 7.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.428 ' N ' HD21 ' A' ' 104' ' ' LEU . 11.0 mmmt -122.27 121.1 27.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.908 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -166.51 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.752 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.5 mm -101.44 144.74 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.7 tt0 -38.86 -58.67 1.62 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.648 0.737 . . . . 0.0 110.888 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.752 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.3 Cg_endo -69.74 -50.93 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.653 2.236 . . . . 0.0 112.316 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -99.57 117.66 34.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.428 ' CD ' ' H ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -82.23 16.46 1.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.823 -179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -85.88 139.47 31.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.428 HD21 ' N ' ' A' ' 96' ' ' LYS . 12.9 mt -104.17 177.63 4.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.925 HD22 ' HB3' ' A' ' 40' ' ' PHE . 41.3 mt -104.24 166.62 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.563 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.4 p -130.29 -55.28 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.189 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -151.85 151.73 28.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 144.02 52.81 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.345 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 42.9 t -76.05 161.01 29.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -118.08 131.86 56.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -49.12 162.97 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.499 ' HG2' HD21 ' A' ' 31' ' ' LEU . 24.8 mmmt -85.52 25.46 1.04 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -146.76 160.94 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.2 t -78.79 -55.06 5.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 96.34 80.58 1.53 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.84 -41.47 4.15 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.684 2.256 . . . . 0.0 112.339 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 18.3 m -159.98 163.47 34.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 47.8 t -43.91 -55.72 4.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 -179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -144.95 167.08 23.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.844 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.8 m -152.29 148.53 27.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.849 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.61 78.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.503 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.8 t -140.56 121.8 14.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.922 0.391 . . . . 0.0 110.731 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -145.18 168.11 21.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.58 158.14 2.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.416 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 154.33 139.69 2.87 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -162.35 154.18 18.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 65.8 mt -113.68 136.13 53.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.55 133.59 38.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.034 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -53.59 114.85 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -148.26 166.53 27.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.34 28.96 4.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.623 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.6 p -138.26 138.18 22.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.666 0.746 . . . . 0.0 111.086 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.623 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.3 Cg_endo -69.75 176.02 7.33 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.385 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -88.27 -40.41 13.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.424 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 62.5 p-90 -58.17 -11.87 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -92.8 85.68 5.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.551 ' CD2' ' HB2' ' A' ' 41' ' ' LEU . 40.2 m-70 -86.73 28.76 0.85 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.05 -130.94 32.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -111.54 89.34 3.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 0.0 111.069 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.2 pt -98.22 174.08 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.131 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 27' ' ' ASP . 48.5 m -94.39 144.2 25.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.7 ttm-85 -39.63 -43.18 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -63.13 -41.94 99.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' SER . 63.6 m-20 -60.37 -65.19 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ASP . . . -37.79 -55.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -54.9 -42.81 72.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 m-20 -69.83 -25.2 63.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 mt -74.76 -27.86 60.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.725 HD11 HD12 ' A' ' 41' ' ' LEU . 56.9 mt -98.55 -28.37 13.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.931 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.1 pt-20 -52.17 -48.47 64.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.0 t -83.49 13.03 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -114.16 154.57 46.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 110.919 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 152.93 69.11 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.72 2.28 . . . . 0.0 112.309 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.479 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -51.64 125.94 16.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.481 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 115.97 -26.97 8.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.447 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.612 ' O ' HD22 ' A' ' 32' ' ' LEU . 32.9 m -54.22 116.34 2.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.647 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 15.6 p90 -108.44 153.12 23.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.885 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -160.25 143.57 13.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.573 ' N ' HD22 ' A' ' 41' ' ' LEU . 97.2 mt -110.91 148.22 14.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.152 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 44' ' ' VAL . 14.4 ptt85 -140.19 109.18 6.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 43' ' ' ARG . 60.0 t -37.3 135.27 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.4 t -99.21 158.23 15.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -120.68 -49.85 2.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 62.4 m -44.79 -43.53 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -125.56 141.56 51.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.3 t -61.33 116.88 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.61 -142.21 11.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.434 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.734 ' CD2' HD11 ' A' ' 86' ' ' LEU . 39.2 m-85 -138.53 -179.01 5.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 0.0 110.893 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.1 m -143.66 119.9 10.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 54' ' ' SER . 6.1 tp -96.44 149.83 21.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.429 ' N ' ' HG ' ' A' ' 53' ' ' LEU . 38.4 m -156.26 164.87 37.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.801 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.405 ' CD2' HD21 ' A' ' 105' ' ' LEU . 31.2 p90 -174.34 151.8 1.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -66.74 123.13 19.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -115.32 144.55 43.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.107 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.431 ' N ' HD21 ' A' ' 37' ' ' LEU . 20.0 mm-40 -36.88 -46.5 0.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.5 p -72.76 -64.89 0.87 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -170.95 161.38 6.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 m -48.3 144.23 4.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.954 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.8 t -120.69 163.66 17.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -142.28 112.16 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.668 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.546 ' CD2' HG21 ' A' ' 98' ' ' ILE . 4.7 m-85 -110.57 131.91 54.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 20.2 ptm -87.31 139.95 30.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.0 t -122.22 119.95 59.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -93.06 173.93 7.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.813 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.572 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 2.4 tt -116.95 99.48 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.642 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.4 mm? -51.47 -177.44 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -92.73 -22.25 19.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -80.33 8.52 7.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.64 48.82 7.64 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.411 ' OG1' HD23 ' A' ' 69' ' ' LEU . 61.3 p -142.7 165.76 26.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.808 0.337 . . . . 0.0 111.175 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.572 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 2.2 m-85 -126.52 118.87 25.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.9 ptm -131.55 161.43 32.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.679 HG23 ' HD2' ' A' ' 77' ' ' PRO . 22.2 mt -94.33 138.67 22.39 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.639 0.733 . . . . 0.0 111.189 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.679 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.78 86.06 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.749 2.299 . . . . 0.0 112.281 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 157.89 -16.54 0.31 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.508 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -97.65 -179.35 4.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.931 0.396 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 0.1 OUTLIER -120.05 20.62 12.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.2 m -148.53 152.05 12.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -123.45 -176.08 3.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.509 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 9.6 m-70 -148.36 147.15 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 39.3 p -53.24 -51.44 62.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.18 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.48 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 16.7 m -147.98 164.67 33.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.734 HD11 ' CD2' ' A' ' 51' ' ' TYR . 47.2 mt -39.21 -43.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -50.88 -61.75 2.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.31 -4.56 14.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.621 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -99.38 -25.14 14.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.971 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 86' ' ' LEU . 93.3 t -79.03 -37.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.5 m -67.9 -53.31 27.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 20.5 t80 -53.91 -28.21 35.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.467 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 6.0 m-70 -70.07 -36.9 75.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -58.81 -15.51 12.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -115.04 -28.68 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.451 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -123.27 117.9 27.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.587 0.708 . . . . 0.0 110.881 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -167.79 0.24 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.657 2.238 . . . . 0.0 112.411 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.793 HG22 ' HD2' ' A' ' 100' ' ' PRO . 3.0 mm -101.58 139.47 22.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.072 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.529 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.0 tt0 -34.59 -58.65 0.65 Allowed Pre-proline 0 C--N 1.331 -0.221 0 CA-C-O 121.631 0.729 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.793 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.74 -50.78 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.623 2.215 . . . . 0.0 112.298 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 98' ' ' ILE . 2.3 mmp_? -99.39 116.56 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -84.64 16.13 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -84.43 134.62 34.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 104' ' ' LEU . 11.6 mt -96.55 169.85 9.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.972 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 40' ' ' PHE . 30.6 mt -97.57 165.51 11.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.481 HG23 ' HA3' ' A' ' 38' ' ' GLY . 5.4 p -125.63 -57.72 1.44 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.406 ' N ' ' OG1' ' A' ' 106' ' ' THR . 8.2 pt20 -152.03 153.68 31.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.651 0.739 . . . . 0.0 110.839 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 145.34 57.36 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 35.9 t -82.57 161.51 22.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -113.09 145.38 41.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -70.79 151.6 44.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.87 171.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.86 106.07 10.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.4 m -59.44 -63.51 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.784 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 174.84 145.31 5.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.487 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.84 178.89 4.16 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.735 2.29 . . . . 0.0 112.321 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 13.6 t -125.45 120.88 32.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.7 p -91.83 -48.61 6.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.533 -179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 p -81.31 155.45 26.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.852 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.9 m -75.27 -54.55 6.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.02 100.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.521 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 m -154.85 172.88 17.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.38 . . . . 0.0 110.856 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 p 41.33 44.19 2.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.805 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.38 -179.75 16.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.524 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.2 -165.6 5.42 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -136.81 131.21 32.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.941 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.6 mt -124.59 39.53 3.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.862 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -46.12 -40.38 10.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -84.93 98.63 10.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -133.85 108.44 8.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -106.1 49.65 0.87 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.503 HG23 ' HD2' ' A' ' 16' ' ' PRO . 13.9 p -146.2 136.83 12.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.596 0.712 . . . . 0.0 111.086 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.7 Cg_endo -69.76 163.82 36.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.667 2.245 . . . . 0.0 112.32 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.1 pt-20 -78.19 -30.28 48.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 58.9 p-90 -70.8 -5.21 28.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.481 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 76.0 t80 -102.83 93.02 4.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -87.78 38.15 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.481 ' HA2' ' CE2' ' A' ' 19' ' ' PHE . . . 45.54 -106.44 0.12 Allowed Glycine 0 C--N 1.331 0.257 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.485 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.11 98.21 5.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 111.051 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.634 ' CD1' ' HB2' ' A' ' 28' ' ' ALA . 23.0 pt -108.51 169.92 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 t -95.13 152.93 17.92 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -49.63 -26.77 3.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -81.84 -36.66 28.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.72 -54.97 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.634 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -47.95 -58.01 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.403 ' N ' ' CD ' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -56.58 -35.11 67.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.957 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -73.85 -26.88 60.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.5 HD23 ' HG3' ' A' ' 112' ' ' LYS . 6.7 mt -74.94 -29.69 61.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.966 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.689 HD11 HD12 ' A' ' 41' ' ' LEU . 15.8 mt -92.81 -25.52 18.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.4 pt-20 -53.26 -43.91 67.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.831 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.9 m -90.13 18.43 5.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -117.58 156.02 49.81 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 148.96 66.44 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.651 2.234 . . . . 0.0 112.377 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.63 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -47.53 134.49 12.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.99 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.648 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 105.56 -25.59 23.99 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.432 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.513 ' O ' HD22 ' A' ' 32' ' ' LEU . 15.2 m -52.96 115.46 1.86 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.902 0.382 . . . . 0.0 110.856 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.612 ' CE1' HG11 ' A' ' 90' ' ' VAL . 32.8 p90 -105.65 166.25 10.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.781 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -169.08 158.2 8.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.922 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.81 HD13 HD22 ' A' ' 86' ' ' LEU . 18.4 mt -128.74 141.55 46.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 44' ' ' VAL . 6.3 ptm180 -131.88 112.76 12.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 43' ' ' ARG . 54.2 t -34.11 133.25 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.1 m -80.86 164.22 22.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -131.58 -51.82 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.9 m -53.53 -56.18 19.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.779 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -118.74 134.1 55.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 p -51.96 124.86 4.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.132 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.616 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 144.39 -133.24 5.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.425 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.732 ' CD2' HD11 ' A' ' 86' ' ' LEU . 21.0 m-85 -153.79 172.96 16.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.935 0.398 . . . . 0.0 110.947 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.1 m -134.6 116.36 14.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.2 tm? -88.81 131.59 35.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.497 ' N ' HD22 ' A' ' 53' ' ' LEU . 2.9 m -143.48 157.75 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.775 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.469 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 31.4 p90 -169.54 162.2 9.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -79.61 124.96 29.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -117.24 146.94 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.047 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' ALA . 10.7 mt-30 -34.29 -51.53 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 t -69.28 -60.37 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 2.1 m -174.94 172.04 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.809 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.75 141.74 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.822 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.458 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 99.6 m -116.74 146.58 42.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -124.48 133.51 53.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.414 1.071 . . . . 0.0 109.638 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.73 ' CD2' HG21 ' A' ' 98' ' ' ILE . 34.9 m-85 -136.9 135.82 38.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.908 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.3 ptm -90.73 135.79 33.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.402 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 58.3 t -117.4 115.01 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.152 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -84.38 163.5 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.925 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.563 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 tt -110.98 96.64 6.28 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.79 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.0 OUTLIER -49.88 178.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -85.34 -23.59 27.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -83.58 22.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.37 24.47 69.18 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.568 ' OG1' HD23 ' A' ' 69' ' ' LEU . 20.1 p -112.61 177.49 4.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.563 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 17.5 m-85 -132.91 129.61 38.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.79 ' HB3' HD21 ' A' ' 69' ' ' LEU . 3.0 ttt -139.74 125.97 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.647 HG23 ' HD2' ' A' ' 77' ' ' PRO . 70.1 mt -71.99 138.46 82.24 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.704 . . . . 0.0 111.118 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.647 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.2 Cg_endo -69.84 109.61 2.37 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.66 -11.84 7.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.459 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -97.11 -177.62 3.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.955 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 3.5 mppt? -125.76 18.97 7.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.99 160.27 17.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.107 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.484 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -129.51 -175.11 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.092 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.499 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 15.4 m-70 -159.5 140.29 12.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.7 p -54.28 -50.34 67.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 86' ' ' LEU . 42.6 m -144.1 156.53 44.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.81 HD22 HD13 ' A' ' 42' ' ' ILE . 54.1 mt -34.34 -47.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -46.57 -60.0 2.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.76 -5.97 18.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.499 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -100.57 -24.87 14.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.612 HG11 ' CE1' ' A' ' 40' ' ' PHE . 81.5 t -79.94 -40.66 20.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.061 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.7 m -62.13 -40.34 95.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -72.86 -25.13 60.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.412 ' CE1' HD12 ' A' ' 76' ' ' ILE . 2.5 m-70 -73.79 -26.22 60.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.854 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -69.78 -10.27 57.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -120.14 -25.2 5.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.6 mmmt -127.59 116.88 21.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.665 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.5 Cg_endo -69.74 -169.77 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.743 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -95.48 142.63 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.528 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.8 tt0 -35.74 -58.54 0.85 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.674 0.749 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.743 ' HD2' HG22 ' A' ' 98' ' ' ILE . 52.9 Cg_endo -69.86 -50.76 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -97.95 114.95 27.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -83.8 22.18 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' A' ' 55' ' ' TYR . 2.6 tm-20 -88.48 142.0 28.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.665 HD21 ' HD3' ' A' ' 97' ' ' PRO . 14.7 mt -105.02 175.61 5.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.439 HD13 ' CG ' ' A' ' 40' ' ' PHE . 16.0 mt -106.45 175.41 5.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.648 HG23 ' HA3' ' A' ' 38' ' ' GLY . 8.6 p -134.96 -62.06 0.73 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.446 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.3 pt20 -146.02 153.72 49.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.423 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.4 Cg_endo -69.81 142.67 48.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.625 2.217 . . . . 0.0 112.367 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.0 t -77.1 166.63 23.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.446 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 8.1 mmt-85 -121.47 131.69 54.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -61.28 143.01 56.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.981 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.5 ' HG3' HD23 ' A' ' 31' ' ' LEU . 18.5 mtmm -103.57 41.81 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -131.45 43.12 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.801 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 81.0 p -146.65 108.16 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -80.3 -65.35 1.75 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 107.5 1.87 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.753 2.302 . . . . 0.0 112.248 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 98.2 p -116.54 126.55 53.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.4 m 41.46 41.89 1.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.539 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t 39.8 48.85 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.865 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -107.06 86.32 2.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.64 -163.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -142.11 140.81 32.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 110.891 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -125.92 115.84 20.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.5 175.82 18.47 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.47 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 155.74 120.65 0.7 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -93.97 92.25 7.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.87 0.367 . . . . 0.0 110.942 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 tt -58.53 122.34 13.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.05 179.47 7.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.079 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -97.75 107.43 19.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -142.96 167.89 21.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -131.23 31.9 3.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.44 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 11.6 p -132.43 135.76 26.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 111.113 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.479 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 54.0 Cg_endo -69.79 -177.66 1.99 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HA ' ' NE2' ' A' ' 111' ' ' GLN . 0.4 OUTLIER -91.72 -40.36 11.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.479 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 52.7 p-90 -61.69 -13.07 19.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -95.84 82.42 3.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.537 ' CE1' HD22 ' A' ' 31' ' ' LEU . 21.4 m-70 -72.76 -19.39 61.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.552 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 96.61 -131.55 10.67 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.84 95.01 9.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.731 0.3 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 33.3 pt -120.78 161.6 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.01 159.75 15.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.8 tpp85 -39.8 -48.82 2.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -59.8 -41.23 90.75 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.431 ' CB ' ' HB ' ' A' ' 23' ' ' ILE . 11.6 m-20 -60.91 -56.83 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.14 -48.19 68.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.103 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -65.54 -38.7 90.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -73.76 -23.24 59.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.537 HD22 ' CE1' ' A' ' 20' ' ' HIS . 7.2 mt -78.28 -28.7 47.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.483 HD22 ' O ' ' A' ' 39' ' ' SER . 11.3 mt -96.04 -24.17 16.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.4 pt-20 -51.54 -46.04 63.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.466 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.5 t -87.7 16.05 6.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.82 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -115.87 153.96 48.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.582 0.706 . . . . 0.0 110.954 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 149.89 67.26 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.7 2.267 . . . . 0.0 112.354 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.55 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -49.05 129.29 17.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.591 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 111.3 -19.68 24.28 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.483 ' O ' HD22 ' A' ' 32' ' ' LEU . 7.2 m -60.72 121.05 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.928 0.394 . . . . 0.0 110.824 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.731 ' CE1' HG11 ' A' ' 90' ' ' VAL . 29.0 p90 -110.33 168.37 9.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 54' ' ' SER . 0.0 OUTLIER -166.18 172.84 10.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.469 ' N ' HD22 ' A' ' 41' ' ' LEU . 16.3 mt -140.78 138.73 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.472 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 10.5 ptm180 -124.26 158.82 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 21' ' ' GLY . 59.3 t -78.58 117.0 23.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.4 t -70.23 151.44 45.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.541 ' CE1' ' O ' ' A' ' 44' ' ' VAL . 13.0 m80 -125.78 -52.55 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.5 t -50.5 -46.25 57.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -127.04 151.13 49.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.72 133.79 29.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 127.78 -141.9 13.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' CD2' HD11 ' A' ' 86' ' ' LEU . 76.2 m-85 -139.99 -175.44 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.908 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.1 m -146.98 116.56 7.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.476 HD22 ' CD2' ' A' ' 93' ' ' HIS . 6.3 tp -91.45 146.9 23.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.866 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.559 ' HB2' HD11 ' A' ' 41' ' ' LEU . 50.8 m -153.98 167.15 30.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.487 ' CD2' HD21 ' A' ' 105' ' ' LEU . 38.1 p90 -175.02 156.71 2.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.2 tptt -73.55 128.79 36.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.922 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -120.77 144.62 48.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.153 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' N ' HD21 ' A' ' 37' ' ' LEU . 20.5 mt-30 -34.99 -59.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 p -65.37 -59.44 4.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.922 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 94.6 p -164.36 172.92 12.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.7 m -61.32 154.9 22.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.533 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 29.9 m -111.31 162.05 15.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -151.88 106.35 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.551 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.684 ' CD2' HG21 ' A' ' 98' ' ' ILE . 9.8 m-85 -117.37 144.02 45.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.0 ptm -99.91 136.02 40.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.6 HG12 ' HB3' ' A' ' 74' ' ' PHE . 18.3 t -116.98 104.41 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -71.42 169.77 14.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.5 99.54 7.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.865 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.5 mm? -55.08 173.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -81.0 -21.73 39.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.09 25.16 1.0 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.27 18.29 60.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.464 HG22 ' HA ' ' A' ' 84' ' ' THR . 80.5 p -108.71 172.32 6.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.8 0.333 . . . . 0.0 111.18 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.6 ' HB3' HG12 ' A' ' 66' ' ' VAL . 1.6 m-85 -128.86 127.6 42.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.865 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.3 ttt -134.14 128.98 35.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.654 HG23 ' HD2' ' A' ' 77' ' ' PRO . 71.9 mt -76.44 138.65 67.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.666 0.746 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.654 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.78 92.89 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.29 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.18 -14.41 2.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.499 ' O ' ' CE ' ' A' ' 75' ' ' MET . 30.2 mt-10 -94.97 156.22 16.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 80' ' ' LYS . 10.8 mmmt -100.01 22.38 11.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.08 162.43 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.137 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -130.98 -179.29 5.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 11.2 m-70 -152.94 148.24 26.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.464 ' HA ' HG22 ' A' ' 73' ' ' THR . 17.7 p -56.29 -47.7 78.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.128 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 46.2 m -148.18 178.89 8.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.797 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 90' ' ' VAL . 28.9 mt -53.07 -50.95 63.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -46.78 -56.48 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.96 -7.05 43.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -98.71 -25.28 14.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.731 HG11 ' CE1' ' A' ' 40' ' ' PHE . 91.9 t -80.15 -49.2 19.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.153 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 77.2 m -53.03 -41.12 64.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.089 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 18.5 t80 -69.83 -30.72 68.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.476 ' CD2' HD22 ' A' ' 53' ' ' LEU . 4.6 m-70 -69.14 -24.63 64.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -69.69 -20.39 63.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -111.18 -24.82 10.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.429 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 11.1 mmmt -126.26 118.64 23.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.579 0.704 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.79 -171.5 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.705 2.27 . . . . 0.0 112.257 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.729 HG22 ' HD2' ' A' ' 100' ' ' PRO . 1.9 mm -97.26 152.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.094 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.534 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -45.55 -58.4 6.05 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.665 0.745 . . . . 0.0 110.957 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.729 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.5 Cg_endo -69.8 -50.72 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.384 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.7 mmm-85 -99.56 115.05 28.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.59 8.47 9.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.823 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.33 138.22 40.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mt -101.16 176.06 5.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 40' ' ' PHE . 18.1 mt -107.49 171.06 7.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.591 HG23 ' HA3' ' A' ' 38' ' ' GLY . 3.5 p -129.82 -59.47 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.137 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.437 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.6 pt20 -147.97 152.67 40.79 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.561 0.696 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 143.37 50.59 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 36.7 t -74.68 156.69 36.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.0 mmt180 -110.58 142.92 41.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.898 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.458 ' NE2' ' HA ' ' A' ' 17' ' ' GLU . 14.6 mp0 -42.22 157.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 111' ' ' GLN . 3.1 mptt -37.04 132.52 0.69 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -49.87 -62.34 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 m -72.82 -74.31 0.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.826 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 94.6 85.55 1.66 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 130.29 19.15 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.701 2.268 . . . . 0.0 112.292 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 51.5 m -112.81 126.64 55.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.2 m -81.09 168.87 18.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.551 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.241 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -167.84 114.09 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.884 0.373 . . . . 0.0 110.869 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -94.82 -49.16 5.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.19 45.81 2.73 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.483 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 p -115.46 96.9 5.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.801 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 p -92.72 141.53 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.11 151.39 17.42 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.471 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.13 -175.99 39.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -131.44 145.71 51.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 mt -99.52 41.06 1.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.88 147.94 36.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.143 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -48.73 121.07 4.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.44 75.67 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -90.29 41.36 2.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.511 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.561 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.6 p -141.04 137.38 16.88 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.569 0.7 . . . . 0.0 111.159 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.596 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 54.3 Cg_endo -69.7 -174.99 1.0 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.638 2.225 . . . . 0.0 112.376 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.6 -40.09 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.596 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 57.7 p-90 -58.45 -14.58 8.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -95.85 121.54 37.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.735 ' CE1' HD13 ' A' ' 31' ' ' LEU . 16.4 m-70 -104.2 -54.33 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' ALA . . . 126.54 86.04 0.57 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.532 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.062 ' HB1' ' CE1' ' A' ' 46' ' ' HIS . . . 34.79 37.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.8 0.334 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.488 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 9.1 pt -50.51 170.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 27' ' ' ASP . 3.2 t -87.34 140.53 29.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -37.6 -40.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -70.38 -39.93 74.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -58.74 -43.23 90.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.82 -43.28 93.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.425 ' CD ' ' HB2' ' A' ' 61' ' ' CYS . 3.1 mm-40 -70.98 -33.92 70.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -81.38 -28.83 34.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.735 HD13 ' CE1' ' A' ' 20' ' ' HIS . 5.6 mt -71.58 -30.78 66.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD11 HD11 ' A' ' 41' ' ' LEU . 14.0 mt -90.9 -27.93 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 34' ' ' SER . 4.7 pt-20 -53.61 -40.77 66.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.411 ' N ' ' HG2' ' A' ' 33' ' ' GLU . 3.9 t -85.16 4.71 33.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.798 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -110.63 154.4 43.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.596 0.712 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 151.43 69.31 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.689 2.259 . . . . 0.0 112.39 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.567 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER -46.84 134.34 10.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.583 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 108.99 -36.51 4.31 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.533 ' O ' HD22 ' A' ' 32' ' ' LEU . 5.6 m -45.86 119.63 2.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.969 0.414 . . . . 0.0 110.81 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.77 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.9 p90 -110.86 168.4 9.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.632 HD11 HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -168.44 166.77 12.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.929 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.595 HD12 ' CZ3' ' A' ' 18' ' ' TRP . 21.8 mt -133.32 138.44 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.169 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.488 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 6.5 ptm180 -126.63 112.11 15.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.743 ' HB ' ' HB2' ' A' ' 22' ' ' ALA . 96.1 t -33.95 130.68 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.3 m -83.41 157.33 22.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 1.062 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 72.9 m80 -121.05 -40.2 2.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.06 -50.51 66.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CD2' ' HA3' ' A' ' 50' ' ' GLY . 52.8 p-80 -119.18 174.45 6.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 49' ' ' VAL . 13.8 m -84.79 33.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.552 ' HA3' ' CD2' ' A' ' 48' ' ' HIS . . . -119.58 -142.96 6.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.509 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.521 ' CG ' HD21 ' A' ' 86' ' ' LEU . 97.8 m-85 -140.86 -178.27 5.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.9 0.381 . . . . 0.0 110.922 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 64' ' ' PHE . 88.5 m -139.55 117.58 11.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.102 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.787 HD13 ' C ' ' A' ' 53' ' ' LEU . 1.3 tm? -95.07 137.11 34.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.618 ' H ' HD22 ' A' ' 53' ' ' LEU . 31.0 m -146.04 165.94 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.46 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 39.0 p90 -175.11 164.55 3.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -78.27 124.44 28.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.535 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -118.79 142.3 47.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.053 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.478 ' N ' HD21 ' A' ' 37' ' ' LEU . 12.8 mm-40 -36.83 -54.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.1 p -61.82 -64.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 t -174.29 155.77 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.887 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.425 ' HB2' ' CD ' ' A' ' 29' ' ' GLU . 1.8 m -41.05 142.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 94.3 m -119.36 160.99 21.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -142.12 115.98 9.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 109.609 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.661 ' CD2' HG21 ' A' ' 98' ' ' ILE . 14.1 m-85 -116.77 147.06 42.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 ptm -100.65 151.3 21.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 66.8 t -129.93 111.83 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -77.85 164.8 24.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.416 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.3 tt -117.81 100.8 7.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.606 HD22 ' H ' ' A' ' 69' ' ' LEU . 1.1 mm? -60.28 167.73 2.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -77.11 -13.45 59.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -88.03 21.22 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.99 20.01 64.14 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.403 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.6 p -112.93 170.63 8.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.796 0.331 . . . . 0.0 111.086 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.494 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 48.7 m-85 -123.73 136.68 54.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.5 ' CB ' HD21 ' A' ' 69' ' ' LEU . 6.7 tpt -138.43 135.8 35.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.529 ' CD1' ' NE2' ' A' ' 93' ' ' HIS . 27.1 mt -87.11 132.49 41.47 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.708 . . . . 0.0 111.143 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 84.94 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.685 2.257 . . . . 0.0 112.303 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.51 -30.05 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -86.83 -174.71 5.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.884 0.373 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -123.39 11.33 9.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.404 ' O ' ' SD ' ' A' ' 75' ' ' MET . 2.6 m -137.06 147.03 27.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.105 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -111.89 -179.07 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 17.3 m-70 -148.12 158.96 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.6 p -68.11 -49.89 58.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 3.5 m -152.29 162.13 41.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.84 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.806 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.8 mp -36.38 -45.85 0.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.16 -55.66 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.5 -7.74 53.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.496 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.54 -18.76 18.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 86' ' ' LEU . 90.9 t -84.77 -36.82 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 97.3 m -67.58 -47.63 69.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.3 t80 -62.66 -30.2 71.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.529 ' NE2' ' CD1' ' A' ' 76' ' ' ILE . 2.7 m-70 -69.27 -30.7 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -65.81 -19.63 65.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -110.52 -22.96 11.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -130.27 119.7 18.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.529 0.68 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -166.31 0.18 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.695 2.264 . . . . 0.0 112.33 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.756 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.3 mm -101.75 144.7 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.536 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.7 tt0 -39.04 -58.33 1.8 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.675 0.75 . . . . 0.0 110.866 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.756 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.3 Cg_endo -69.69 -50.26 0.49 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.781 2.32 . . . . 0.0 112.328 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -99.37 115.58 29.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -84.41 26.98 0.73 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' OE2' ' N ' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -93.26 144.91 24.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.852 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.438 ' N ' ' OE2' ' A' ' 103' ' ' GLU . 11.2 mt -106.34 179.03 4.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.77 HD22 ' HB3' ' A' ' 40' ' ' PHE . 28.0 mt -110.7 168.05 9.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.583 HG23 ' HA3' ' A' ' 38' ' ' GLY . 1.8 p -129.69 -55.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -154.18 152.42 26.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.545 0.688 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 144.31 53.58 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.665 2.244 . . . . 0.0 112.322 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 46.8 t -78.72 151.33 32.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -109.67 131.81 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -39.17 148.44 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -71.28 164.31 25.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -75.51 118.71 18.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.4 t -78.28 -60.57 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 139.4 144.91 4.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.523 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 117' ' ' SER . 53.7 Cg_endo -69.8 -17.89 37.13 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.726 2.284 . . . . 0.0 112.3 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 116' ' ' PRO . 16.8 p -34.6 145.62 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 85.7 p -120.48 132.95 55.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 p -174.29 124.02 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.381 . . . . 0.0 110.813 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -141.59 166.37 24.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.828 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.37 166.34 11.36 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.533 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -165.51 136.41 3.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.2 p -91.21 83.35 5.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.903 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.13 -92.78 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.98 128.76 6.47 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.463 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -135.09 122.01 21.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 51.1 mt -71.21 113.8 8.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.982 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -98.68 162.98 12.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.146 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -137.53 114.05 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -137.82 156.61 47.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -91.02 49.0 3.01 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.569 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.583 HG23 ' HD2' ' A' ' 16' ' ' PRO . 8.6 p -142.22 137.51 15.78 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.609 0.718 . . . . 0.0 111.058 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.583 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.82 -176.86 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.722 2.282 . . . . 0.0 112.312 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 4.9 pt-20 -93.89 -27.2 16.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.58 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 58.7 p-90 -72.0 -4.62 29.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -100.55 91.15 4.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.611 ' O ' HG23 ' A' ' 23' ' ' ILE . 34.2 m-70 -85.93 34.96 0.61 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 56.42 -128.22 45.75 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.456 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.77 88.13 2.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 20' ' ' HIS . 14.4 pt -107.36 165.1 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 27' ' ' ASP . 15.7 m -104.8 145.36 30.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.515 ' HG3' ' N ' ' A' ' 26' ' ' GLU . 39.1 ptt85 -34.26 -42.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.515 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 11.9 pt-20 -56.01 -50.33 71.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -65.49 -46.5 79.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.807 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.01 -51.0 57.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -59.02 -38.96 80.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -71.1 -26.06 62.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.682 HD21 ' HG2' ' A' ' 112' ' ' LYS . 4.0 mt -75.79 -33.42 60.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.849 HD21 HD12 ' A' ' 41' ' ' LEU . 12.7 mt -89.08 -28.0 20.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.446 ' CG ' ' N ' ' A' ' 34' ' ' SER . 7.7 pt-20 -49.16 -44.43 42.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.446 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.5 t -90.84 24.12 2.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.9 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -124.03 155.9 66.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.665 0.745 . . . . 0.0 110.946 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 149.04 66.49 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.728 2.285 . . . . 0.0 112.312 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.506 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -49.57 127.47 15.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.608 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 112.77 -22.75 16.05 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.646 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.8 m -57.2 119.45 6.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.899 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.803 ' HB3' HD22 ' A' ' 105' ' ' LEU . 42.9 p90 -110.97 164.1 13.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.849 HD12 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -167.56 149.23 5.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.578 HG21 HD13 ' A' ' 86' ' ' LEU . 62.2 mt -117.87 141.33 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.513 ' CB ' ' CG1' ' A' ' 23' ' ' ILE . 17.8 ptt85 -130.37 127.69 39.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.1 t -41.59 133.48 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.9 m -80.46 161.73 24.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -122.93 -42.35 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.783 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 t -57.23 -54.85 42.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -113.22 175.84 5.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.804 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.5 m -85.09 28.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.462 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -112.35 -136.52 6.78 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.533 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.786 ' CD2' HD11 ' A' ' 86' ' ' LEU . 23.9 m-85 -145.13 -179.6 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.004 0.43 . . . . 0.0 110.895 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.496 HG21 ' NH2' ' A' ' 43' ' ' ARG . 97.3 m -137.07 116.66 12.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 tp -96.11 138.13 34.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.6 m -147.25 167.75 23.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 64' ' ' PHE . 53.3 p90 -175.05 164.65 3.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.1 tptp -83.4 127.31 33.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.447 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -118.73 152.34 36.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.05 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -42.51 -41.9 3.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m -74.03 -64.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -174.73 165.86 3.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.912 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.1 m -48.6 141.17 7.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 60.9 m -123.09 149.2 44.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -124.58 123.0 39.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.615 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.751 ' CE2' HG21 ' A' ' 98' ' ' ILE . 53.0 m-85 -119.22 138.74 52.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.849 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.9 ptm -99.89 136.15 40.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.612 HG22 HG12 ' A' ' 76' ' ' ILE . 71.4 t -121.69 113.69 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -79.11 176.27 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -118.31 102.92 9.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 75' ' ' MET . 3.1 mm? -55.32 176.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -84.74 -24.75 28.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -81.29 12.8 3.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.22 12.6 84.45 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.494 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.626 HG22 ' HA ' ' A' ' 84' ' ' THR . 82.7 p -100.74 -177.78 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 111.113 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.556 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 5.4 m-85 -137.78 124.0 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.689 ' HB3' HD21 ' A' ' 69' ' ' LEU . 3.0 ttt -130.19 132.68 46.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.612 HG12 HG22 ' A' ' 66' ' ' VAL . 75.8 mt -76.59 135.28 68.58 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 121.612 0.72 . . . . 0.0 111.1 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.532 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.5 Cg_endo -69.74 80.37 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.743 2.296 . . . . 0.0 112.313 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.08 -28.68 0.3 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -83.34 -176.15 6.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.967 0.413 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.12 19.47 9.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.77 162.81 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 75' ' ' MET . . . -131.88 177.33 7.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 10.5 m-70 -150.25 148.7 29.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.837 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.626 ' HA ' HG22 ' A' ' 73' ' ' THR . 17.3 p -53.55 -53.55 50.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.048 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.556 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 9.4 m -144.67 159.64 42.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.814 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.786 HD11 ' CD2' ' A' ' 51' ' ' TYR . 68.7 mt -36.73 -47.22 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -48.05 -59.64 3.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.84 -8.94 40.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.506 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -96.13 -26.3 15.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.945 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.487 HG11 ' CE2' ' A' ' 40' ' ' PHE . 53.4 t -75.46 -47.74 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.7 m -55.44 -50.56 69.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -60.1 -31.25 69.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -66.29 -37.26 85.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -58.22 -18.9 29.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -110.89 -22.26 11.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.48 115.65 18.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.607 0.718 . . . . 0.0 110.876 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.695 ' HD3' HD21 ' A' ' 104' ' ' LEU . 54.4 Cg_endo -69.76 -174.93 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.697 2.265 . . . . 0.0 112.379 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.773 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -89.07 144.68 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.119 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.52 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -37.91 -58.73 1.32 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.634 0.731 . . . . 0.0 110.835 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.773 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.3 Cg_endo -69.76 -52.16 0.34 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.362 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.447 ' HD3' ' CE2' ' A' ' 64' ' ' PHE . 3.7 mpt_? -91.52 115.0 27.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -85.28 26.11 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -99.15 143.96 28.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.695 HD21 ' HD3' ' A' ' 97' ' ' PRO . 15.6 mt -102.87 174.93 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' A' ' 40' ' ' PHE . 21.9 mt -101.1 171.25 7.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.951 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.608 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.7 p -130.27 -57.33 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.413 ' N ' ' OG1' ' A' ' 106' ' ' THR . 23.4 pt20 -152.36 150.37 25.05 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.92 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 145.77 58.17 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.662 2.242 . . . . 0.0 112.385 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 47.1 t -74.72 163.72 27.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.498 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 6.6 mmt180 -119.94 136.04 54.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -44.57 161.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.682 ' HG2' HD21 ' A' ' 31' ' ' LEU . 23.1 mmmt -68.72 -1.87 7.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -112.94 -46.57 3.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.9 m -53.69 -50.88 64.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 53.29 -158.8 4.14 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 116.88 4.77 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.729 2.286 . . . . 0.0 112.334 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 91.7 p -85.09 152.33 23.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 69.0 p -75.25 132.67 41.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.795 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.531 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -105.45 -55.62 2.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.38 . . . . 0.0 110.836 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.2 p -84.63 130.09 34.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.68 -154.89 26.22 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -91.3 140.22 29.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.925 0.393 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 m 46.52 48.15 14.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.854 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.28 96.84 1.0 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.39 131.83 5.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.465 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -92.42 62.46 3.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.746 0.307 . . . . 0.0 110.907 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 mt -130.88 139.91 50.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.97 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -164.88 149.46 9.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -145.78 109.53 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -121.88 116.27 24.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -135.48 43.02 1.28 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.493 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 16' ' ' PRO . 86.1 t -134.69 138.73 30.51 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.645 0.736 . . . . 0.0 111.097 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.1 Cg_endo -69.86 176.45 6.82 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.277 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.2 -41.97 14.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.653 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 64.1 p-90 -58.95 -12.96 5.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 66.2 t80 -98.34 117.11 32.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.645 ' HE1' HD22 ' A' ' 31' ' ' LEU . 36.7 m-70 -110.34 20.48 17.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.662 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 68.1 -106.5 1.74 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.18 80.08 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 14.6 pt -94.34 172.54 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.066 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 m -102.24 159.47 15.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 tpp85 -45.66 -54.03 8.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 10.5 pt-20 -55.13 -44.61 75.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 79.7 m-20 -55.88 -57.47 11.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.26 -51.82 31.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.164 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -58.85 -35.39 72.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -75.59 -25.53 57.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.645 HD22 ' HE1' ' A' ' 20' ' ' HIS . 5.2 mt -75.68 -28.1 58.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.619 HD11 HD12 ' A' ' 41' ' ' LEU . 18.3 mt -95.86 -26.16 15.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.471 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.9 pt-20 -52.5 -46.36 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.471 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.8 m -85.57 10.79 12.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.813 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -112.69 155.0 44.59 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.594 0.711 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 153.0 69.3 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -51.57 131.93 29.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.613 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 108.91 -21.91 26.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.5 m -57.23 122.38 12.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.387 . . . . 0.0 110.904 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.779 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.9 p90 -110.6 158.06 18.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.821 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.828 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.48 147.67 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.83 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.654 HD13 HD22 ' A' ' 86' ' ' LEU . 69.4 mt -118.04 145.26 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.497 HH12 HG22 ' A' ' 52' ' ' THR . 13.0 ptt-85 -135.76 120.02 17.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 21' ' ' GLY . 90.6 t -44.41 106.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.172 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.5 p -73.32 141.47 47.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -110.92 -38.16 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 25.6 m -48.06 -55.12 10.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -124.44 143.45 50.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 49' ' ' VAL . 12.7 p -52.7 120.68 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.61 -152.62 20.13 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.841 ' CD2' HD11 ' A' ' 86' ' ' LEU . 4.0 m-85 -130.46 171.82 12.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.885 0.374 . . . . 0.0 110.931 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.497 HG22 HH12 ' A' ' 43' ' ' ARG . 64.2 m -133.41 93.93 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 tp -69.17 142.37 54.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.2 m -150.67 165.25 33.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.581 ' CD2' HD21 ' A' ' 105' ' ' LEU . 9.5 p90 -174.75 143.28 0.75 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.5 tptt -56.44 125.33 21.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.925 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -118.1 143.43 46.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 57' ' ' ALA . 22.9 mt-30 -35.87 -55.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.8 p -65.94 -60.12 3.16 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 15.6 t -174.35 154.35 2.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.814 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' SER . 4.4 m -35.48 148.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 90.1 m -119.92 147.1 45.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -130.56 114.97 16.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.611 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.601 ' CD1' HG21 ' A' ' 98' ' ' ILE . 36.2 m-85 -115.7 124.38 50.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.908 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.6 ptm -78.81 142.95 36.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.439 HG22 HG12 ' A' ' 76' ' ' ILE . 90.4 t -124.92 129.88 73.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.12 166.97 10.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.05 94.75 5.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.927 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.845 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.7 mm? -48.01 169.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -75.64 -22.56 56.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -84.59 21.32 1.53 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 66.16 17.95 66.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.478 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.3 p -106.83 179.94 4.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.774 0.321 . . . . 0.0 111.185 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.575 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 14.2 m-85 -129.57 135.1 48.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.845 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -142.87 132.18 23.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.64 HG23 ' HD2' ' A' ' 77' ' ' PRO . 59.8 mt -83.87 138.64 40.26 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.573 0.701 . . . . 0.0 111.165 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.64 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.3 Cg_endo -69.73 85.67 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.355 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.03 -19.47 0.56 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' O ' ' CE ' ' A' ' 75' ' ' MET . 57.9 mm-40 -98.79 155.33 17.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.986 0.422 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.457 ' N ' ' HD2' ' A' ' 80' ' ' LYS . 4.6 mmmm -99.1 31.28 3.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.89 165.59 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.045 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -136.17 177.33 7.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.087 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.468 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 10.0 m-70 -148.75 150.49 33.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 22.3 p -55.68 -50.77 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.181 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.575 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 4.2 m -148.91 175.9 10.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.841 HD11 ' CD2' ' A' ' 51' ' ' TYR . 84.7 mt -49.64 -49.92 45.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.855 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -46.36 -54.1 9.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.66 -11.07 60.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.636 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -98.17 -15.98 19.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.956 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 86' ' ' LEU . 80.3 t -87.71 -37.32 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 49.5 m -70.71 -43.84 68.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -64.21 -30.62 71.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 5.5 m-70 -67.91 -36.2 79.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -53.05 -19.1 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -113.03 -28.59 7.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.53 112.43 29.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.572 0.701 . . . . 0.0 110.946 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.74 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.4 Cg_endo -69.75 -164.08 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.655 2.237 . . . . 0.0 112.283 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.733 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -98.91 139.69 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.128 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.53 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -35.04 -58.5 0.72 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.667 0.746 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.733 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.75 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -100.49 112.41 24.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.9 -11.7 60.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.73 128.45 29.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.74 HD21 ' HD3' ' A' ' 97' ' ' PRO . 10.4 mt -94.28 177.9 5.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.779 HD22 ' HB3' ' A' ' 40' ' ' PHE . 34.6 mt -106.59 151.74 24.63 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.591 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.0 p -114.99 -54.87 2.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.106 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -153.51 153.26 28.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.51 0.672 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 144.38 53.83 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.656 2.237 . . . . 0.0 112.37 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 53.7 t -77.68 148.35 35.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.4 mmt180 -102.85 150.62 23.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.833 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.469 HE22 ' CG ' ' A' ' 20' ' ' HIS . 25.2 mm-40 -46.02 172.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -101.13 65.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -175.15 137.63 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.3 m -106.33 92.91 4.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -100.67 172.64 24.02 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.47 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 90.91 0.51 Allowed 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.676 2.251 . . . . 0.0 112.347 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.8 m -152.15 133.74 14.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 68.3 p -120.57 138.64 53.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.461 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -143.34 133.59 24.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.927 0.394 . . . . 0.0 110.785 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -98.18 42.16 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.808 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 54.99 -111.14 2.04 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.544 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 m 43.72 42.46 4.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.878 0.37 . . . . 0.0 110.913 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -93.18 -49.65 5.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.31 -146.93 25.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.56 -163.91 1.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.498 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -166.35 127.54 1.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.367 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mt -81.78 92.96 6.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.5 176.69 8.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -60.44 110.3 1.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' GLY . 4.1 m-20 -77.88 84.62 4.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.842 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 13' ' ' ASP . . . -37.11 -35.66 0.16 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 8.7 p -134.56 136.27 25.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.634 0.731 . . . . 0.0 111.089 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 15' ' ' VAL . 53.9 Cg_endo -69.69 -179.77 3.11 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.411 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -92.96 -40.03 10.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.445 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 56.6 p-90 -56.94 -14.59 3.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -89.41 88.26 7.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -84.84 39.93 0.78 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.792 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.27 -113.39 0.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.16 84.52 2.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 111.062 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.4 pt -96.87 -179.39 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ARG . 4.2 m -102.17 140.93 35.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' SER . 25.1 ttt180 -35.17 -46.93 0.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.81 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 16.4 pt-20 -62.96 -51.79 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.408 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 1.3 m-20 -53.65 -39.47 65.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.832 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.88 -61.73 2.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.65 ' CD ' ' CE1' ' A' ' 63' ' ' HIS . 0.0 OUTLIER -54.94 -38.47 67.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -67.43 -30.35 70.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.699 HD21 ' HG3' ' A' ' 112' ' ' LYS . 3.4 mt -71.56 -27.83 63.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.977 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.969 HD11 HD12 ' A' ' 41' ' ' LEU . 16.3 mt -93.15 -27.21 17.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.978 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.0 pt-20 -52.01 -43.04 63.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.423 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 2.0 m -88.83 15.48 8.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -114.53 156.71 44.28 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.701 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 149.58 67.38 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.716 2.278 . . . . 0.0 112.35 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.551 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.4 OUTLIER -47.7 131.09 14.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.59 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 110.76 -32.4 6.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.529 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.575 ' O ' HD22 ' A' ' 32' ' ' LEU . 15.5 m -49.22 122.32 5.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.929 0.395 . . . . 0.0 110.797 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.784 ' HB3' HD22 ' A' ' 105' ' ' LEU . 32.5 p90 -115.9 164.76 13.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.969 HD12 HD11 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -168.17 163.01 13.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.84 ' N ' HD22 ' A' ' 41' ' ' LEU . 93.7 mt -134.11 158.47 42.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.528 ' N ' HG22 ' A' ' 42' ' ' ILE . 9.6 ptt85 -149.5 112.14 4.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.6 t -39.01 112.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.5 p -72.3 165.55 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.786 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -127.95 -35.43 2.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.9 t -58.28 -66.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -102.48 143.49 32.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.637 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.3 p -61.7 94.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.102 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 166.92 -137.01 4.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.489 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 19.1 m-85 -146.26 -177.62 5.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.925 0.393 . . . . 0.0 110.933 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.9 m -142.73 119.31 11.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.206 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -99.98 132.67 45.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.484 ' HB3' HD11 ' A' ' 41' ' ' LEU . 2.5 t -136.08 153.2 51.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.67 ' CE2' ' CE2' ' A' ' 64' ' ' PHE . 7.7 p90 -164.29 146.59 8.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -62.79 129.57 41.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.509 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -122.19 138.7 54.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.09 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.508 ' N ' HD21 ' A' ' 37' ' ' LEU . 22.7 mt-30 -34.46 -42.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 61.8 m -71.09 -69.07 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 61' ' ' CYS . 2.2 m -174.64 161.59 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.443 ' C ' ' O ' ' A' ' 60' ' ' SER . 26.4 p -34.62 135.9 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.2 m -130.17 145.56 51.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.65 ' CE1' ' CD ' ' A' ' 29' ' ' GLU . 87.8 m-70 -119.04 139.6 51.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.578 1.174 . . . . 0.0 109.57 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.786 ' CD1' HG21 ' A' ' 98' ' ' ILE . 41.5 m-85 -133.87 100.43 4.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.9 ptm -68.34 140.24 55.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 34.7 t -121.15 104.38 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.206 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -71.33 169.71 14.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.57 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.6 tt -118.16 105.62 11.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.699 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.4 mm? -60.72 165.94 3.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -75.05 -20.27 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -80.76 13.32 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.67 18.61 77.4 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.7 p -109.32 178.38 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.148 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.57 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 14.5 m-85 -132.8 137.9 46.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.699 ' HB3' HD21 ' A' ' 69' ' ' LEU . 2.7 ttt -150.3 133.4 16.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.435 ' CD1' ' NE2' ' A' ' 93' ' ' HIS . 23.4 mt -75.47 132.44 75.68 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.588 0.709 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.83 82.59 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 160.96 -17.73 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 99' ' ' GLU . 6.3 mm-40 -99.75 -175.34 2.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.952 0.406 . . . . 0.0 110.89 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -123.24 21.15 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.42 153.17 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -124.81 -174.87 3.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 9.7 m-70 -159.99 142.31 13.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 74.9 p -50.26 -52.45 36.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.144 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.564 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 68.4 m -141.53 171.68 13.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.547 ' HA ' HD23 ' A' ' 89' ' ' LEU . 4.6 mt -54.12 -49.3 69.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -52.07 -20.22 2.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -103.63 -13.28 16.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.826 ' C ' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -96.17 -20.35 18.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.658 HG11 ' CE2' ' A' ' 40' ' ' PHE . 65.5 t -79.21 -44.17 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 40.1 m -57.81 -44.83 86.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 24.9 t80 -65.31 -28.51 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.435 ' NE2' ' CD1' ' A' ' 76' ' ' ILE . 2.7 m-70 -68.81 -23.78 64.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -71.27 -18.98 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -111.66 -27.44 8.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 7.9 mmmt -123.96 118.51 26.9 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -179.26 2.79 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.642 2.228 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.786 HG21 ' CD1' ' A' ' 64' ' ' PHE . 2.1 mm -90.17 150.15 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.532 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -43.86 -58.44 4.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.663 0.744 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.76 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.82 -48.22 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.634 2.223 . . . . 0.0 112.328 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.4 mmt180 -100.52 111.88 24.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.44 ' CD ' ' H ' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -77.82 7.03 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -79.13 146.23 33.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.4 mt -104.74 176.42 5.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.784 HD22 ' HB3' ' A' ' 40' ' ' PHE . 46.1 mt -103.14 165.68 10.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.59 HG23 ' HA3' ' A' ' 38' ' ' GLY . 1.6 p -127.24 -58.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.432 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.9 pt20 -151.48 152.9 31.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.663 0.744 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 143.91 52.62 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.658 2.239 . . . . 0.0 112.38 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 34.2 t -75.81 163.06 27.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -117.54 142.1 47.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -66.67 153.01 44.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.699 ' HG3' HD21 ' A' ' 31' ' ' LEU . 6.3 mtpm? -67.95 87.64 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -167.85 113.03 0.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.3 m -47.61 -50.27 24.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -95.03 151.72 20.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.56 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -33.26 16.86 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.625 2.217 . . . . 0.0 112.375 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -63.08 152.94 35.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 t -125.33 152.24 44.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.504 -179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.23 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -163.73 132.34 3.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.847 0.356 . . . . 0.0 110.867 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 p -157.35 161.9 39.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.771 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.62 66.73 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 t -94.66 -54.99 3.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.853 0.358 . . . . 0.0 110.811 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.3 m -109.44 150.25 28.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.863 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.03 159.19 9.03 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.473 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -132.21 173.53 20.68 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.485 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -76.78 136.54 39.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.815 0.34 . . . . 0.0 110.917 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.1 tp -136.18 115.79 12.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -89.63 159.32 17.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -93.0 123.1 36.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.44 ' O ' HG23 ' A' ' 15' ' ' VAL . 2.5 p30 -131.37 105.62 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.31 39.45 82.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.437 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.677 HG13 ' HD2' ' A' ' 16' ' ' PRO . 85.8 t -140.66 138.72 18.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 0.0 111.14 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.677 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.82 -179.55 3.01 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.388 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' OE1' ' NE ' ' A' ' 110' ' ' ARG . 6.2 pt-20 -90.58 -28.23 18.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.532 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 56.3 p-90 -74.22 -4.79 38.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -101.68 100.47 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.407 ' CD2' ' N ' ' A' ' 20' ' ' HIS . 4.0 m-70 -99.33 41.77 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 42.71 -127.0 4.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.529 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -112.79 115.55 28.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.726 0.298 . . . . 0.0 111.07 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CG1' ' HD2' ' A' ' 43' ' ' ARG . 6.1 pt -125.29 -177.61 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 27' ' ' ASP . 12.9 p -100.92 148.48 24.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -44.35 -29.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.48 -33.21 48.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' SER . 61.4 m-20 -68.62 -53.53 22.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.538 ' HB2' ' HD3' ' A' ' 43' ' ' ARG . . . -48.05 -51.45 24.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -62.83 -40.32 97.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -67.73 -23.08 65.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.0 mt -78.92 -31.72 45.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.964 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.704 HD11 HD12 ' A' ' 41' ' ' LEU . 20.0 mt -93.43 -24.39 18.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.519 ' CG ' ' N ' ' A' ' 34' ' ' SER . 3.8 pt-20 -54.71 -48.67 72.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.519 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 48.9 m -79.62 1.91 24.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -106.31 152.42 40.53 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.669 0.747 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.7 59.48 Favored 'Trans proline' 0 C--O 1.233 0.23 0 C-N-CA 122.644 2.229 . . . . 0.0 112.356 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.794 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -51.92 131.41 31.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.538 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 112.52 -32.28 6.35 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.574 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.523 ' O ' HD22 ' A' ' 32' ' ' LEU . 4.6 m -51.14 119.38 3.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.383 . . . . 0.0 110.842 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.629 ' HB3' HD22 ' A' ' 105' ' ' LEU . 29.6 p90 -112.08 159.22 18.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.903 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -162.13 136.92 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.707 HD13 HD22 ' A' ' 86' ' ' LEU . 54.6 mt -106.86 151.09 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.097 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.538 ' HD3' ' HB2' ' A' ' 28' ' ' ALA . 8.7 mtm180 -137.42 172.93 12.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 t -90.3 112.86 25.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -73.6 119.14 17.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -79.52 -45.53 19.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.7 t -49.17 -43.89 42.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.418 ' O ' ' CG ' ' A' ' 48' ' ' HIS . 9.8 p-80 -140.12 126.34 19.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 49' ' ' VAL . 4.3 p -49.98 111.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.075 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.57 -128.05 1.56 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.439 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.619 ' CD2' HD11 ' A' ' 86' ' ' LEU . 71.3 m-85 -154.35 163.54 39.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.908 0.385 . . . . 0.0 110.931 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.2 m -129.24 111.64 13.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.217 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.649 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.9 tm? -85.4 127.27 34.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -141.47 159.15 42.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.62 ' CD2' HD21 ' A' ' 105' ' ' LEU . 26.3 p90 -172.19 147.98 2.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -61.88 126.95 29.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.845 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.794 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -115.63 147.58 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.103 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.461 ' N ' HD21 ' A' ' 37' ' ' LEU . 21.2 mm-40 -45.75 -36.34 5.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 m -83.8 -66.06 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.833 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 6.0 m -165.12 155.18 13.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.1 t -44.09 142.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.487 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -118.5 162.06 18.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 -179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.0 m-70 -147.97 109.21 4.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.545 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.787 ' CD2' HG21 ' A' ' 98' ' ' ILE . 11.7 m-85 -110.46 124.86 52.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.858 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.4 ptm -74.71 148.19 40.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.9 t -131.05 116.43 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.074 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 4.7 mtmp? -84.06 161.86 20.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.99 86.31 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 69' ' ' LEU . 1.8 mm? -44.23 161.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -74.91 -20.38 59.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -78.21 6.26 8.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.19 19.49 76.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.459 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 74.2 p -107.96 -177.69 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.512 ' CE1' ' HA ' ' A' ' 85' ' ' SER . 9.9 m-85 -141.43 125.07 16.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.896 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.445 ' HB3' HD21 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -142.34 137.47 30.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.837 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 77' ' ' PRO . 79.2 mt -78.19 138.35 60.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.673 0.749 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.75 81.71 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.709 2.273 . . . . 0.0 112.259 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.94 -20.4 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -89.35 -178.28 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.909 0.385 . . . . 0.0 110.916 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 18.83 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.909 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.25 157.37 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -128.29 -176.71 3.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.06 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 18.7 m-70 -151.18 151.93 32.61 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.6 p -62.18 -44.57 96.3 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.188 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.512 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 3.9 m -149.93 164.47 35.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.707 HD22 HD13 ' A' ' 42' ' ' ILE . 77.9 mt -42.0 -50.89 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.14 -59.7 2.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.896 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.83 -4.82 13.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.584 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -98.29 -27.59 14.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.55 HG11 ' CZ ' ' A' ' 40' ' ' PHE . 88.5 t -79.54 -39.25 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.7 m -63.82 -46.71 83.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.167 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -65.25 -25.75 67.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 8.7 m-70 -72.18 -43.7 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.811 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -49.04 -19.23 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -112.33 -26.26 8.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mmmt -124.38 110.77 28.41 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.59 0.709 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.812 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.0 Cg_endo -69.81 -170.97 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.714 2.276 . . . . 0.0 112.321 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.787 HG21 ' CD2' ' A' ' 64' ' ' PHE . 1.8 mm -92.22 139.24 18.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.069 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.531 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.9 tt0 -34.78 -58.5 0.68 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.706 0.765 . . . . 0.0 110.923 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.768 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.77 -46.81 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.705 2.27 . . . . 0.0 112.375 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 61.5 mmt-85 -102.99 112.79 25.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.22 -10.53 59.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.75 142.24 41.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.812 HD21 ' HD3' ' A' ' 97' ' ' PRO . 15.8 mt -108.3 -179.04 3.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.629 HD22 ' HB3' ' A' ' 40' ' ' PHE . 37.4 mt -107.03 165.04 11.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.957 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.51 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.1 p -128.53 -58.48 1.18 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.433 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.1 pt20 -148.93 152.34 36.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.525 0.679 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.443 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 53.2 Cg_endo -69.69 145.95 59.16 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.69 2.26 . . . . 0.0 112.314 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 42.9 t -79.68 162.23 25.35 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.407 ' NE ' ' OE1' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -119.08 132.76 56.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.884 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -56.87 145.84 28.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.3 mttt -52.5 131.82 34.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -173.88 135.93 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.5 p -88.77 82.54 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 75.27 144.61 1.17 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 105.84 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.644 2.23 . . . . 0.0 112.366 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 88.3 p -72.34 150.12 43.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.3 m -78.07 88.11 4.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.508 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 p 37.51 42.36 0.34 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.948 0.404 . . . . 0.0 110.894 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -53.95 175.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.03 162.15 24.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.469 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 m -161.32 131.67 5.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.924 0.392 . . . . 0.0 110.852 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 m -159.13 154.73 26.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.98 169.93 11.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.67 128.46 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.542 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.509 ' NE2' ' HB3' ' A' ' 11' ' ' ALA . 8.5 pt20 -122.0 153.18 38.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.34 . . . . 0.0 110.925 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mp -92.25 44.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.509 ' HB3' ' NE2' ' A' ' 9' ' ' GLN . . . -120.53 149.33 42.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -113.79 140.68 48.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -173.8 132.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.949 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.39 37.55 2.42 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.451 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.5 t -126.72 130.21 23.89 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.659 0.742 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.504 ' HB2' ' CD1' ' A' ' 18' ' ' TRP . 53.1 Cg_endo -69.79 170.74 15.9 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.675 2.25 . . . . 0.0 112.372 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.72 -39.87 21.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.504 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 65.2 p-90 -59.27 -11.54 4.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -100.02 105.76 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.947 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.438 ' CD2' HD23 ' A' ' 41' ' ' LEU . 29.8 m-70 -104.84 39.5 1.69 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 44.91 -118.59 2.74 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.475 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.43 104.35 11.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 0.0 111.06 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 11.5 pt -113.32 175.79 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.1 t -98.15 145.68 26.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.782 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.8 tmm_? -42.77 -32.89 0.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.923 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -74.77 -41.23 60.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -56.67 -56.99 14.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.08 -58.33 4.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -55.43 -44.01 75.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -70.18 -22.17 62.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 mt -77.38 -31.68 54.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 HD12 ' A' ' 41' ' ' LEU . 20.5 mt -93.52 -24.79 17.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.954 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.2 pt-20 -56.46 -46.27 80.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.475 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 50.7 m -85.07 11.75 9.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.81 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -111.28 157.79 37.96 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.592 0.71 . . . . 0.0 110.907 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 151.96 69.26 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.742 2.295 . . . . 0.0 112.302 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -51.96 130.58 29.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.566 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 107.95 -19.33 32.95 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.529 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.8 m -58.22 123.34 15.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.926 0.393 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.715 ' HB3' HD22 ' A' ' 105' ' ' LEU . 34.9 p90 -117.3 150.68 38.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.91 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -160.49 142.9 12.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.987 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.584 ' N ' HD22 ' A' ' 41' ' ' LEU . 55.5 mt -114.03 158.5 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.515 ' N ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -151.05 140.68 21.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -55.65 122.21 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.2 m -75.01 164.26 26.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -125.37 -47.87 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.0 t -54.26 -58.7 6.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -115.28 142.79 46.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.82 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 p -62.78 123.77 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.608 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 142.69 -128.98 3.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.488 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.777 ' CD2' HD11 ' A' ' 86' ' ' LEU . 31.2 m-85 -155.33 169.64 23.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.926 0.393 . . . . 0.0 110.926 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.6 m -135.66 117.54 15.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.095 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' A' ' 93' ' ' HIS . 12.9 tp -86.38 134.53 33.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.95 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -139.25 156.3 47.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -171.03 150.74 3.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -68.02 132.43 47.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.998 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -123.25 141.47 51.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 57' ' ' ALA . 12.6 mt-30 -35.79 -39.22 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 67.8 m -78.7 -62.91 1.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 81.9 p -173.6 164.58 4.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 72.9 m -52.23 130.14 29.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.835 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 t -114.98 158.82 21.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.493 ' ND1' ' NH2' ' A' ' 43' ' ' ARG . 81.5 m-70 -132.32 138.89 47.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.586 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.849 ' CE1' HG21 ' A' ' 98' ' ' ILE . 60.1 m-85 -134.2 127.8 32.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 24.5 ptm -86.96 136.08 33.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.59 HG22 HG12 ' A' ' 76' ' ' ILE . 57.5 t -119.94 108.64 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -76.22 158.26 31.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.518 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 tt -104.02 102.65 12.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.747 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.1 mm? -54.44 162.87 1.0 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -71.79 -25.75 62.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -76.21 6.82 4.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.18 16.65 76.01 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.505 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.532 HG22 ' HA ' ' A' ' 84' ' ' THR . 71.2 p -108.5 -179.63 3.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 111.145 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.518 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 21.1 m-85 -131.87 131.51 42.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.747 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.7 ttt -139.93 126.88 20.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.59 HG12 HG22 ' A' ' 66' ' ' VAL . 89.5 mt -72.61 131.63 84.27 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.609 0.719 . . . . 0.0 111.121 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 83.49 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.766 2.31 . . . . 0.0 112.307 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.71 -15.01 0.36 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.43 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 99' ' ' GLU . 7.9 mm-40 -101.14 -175.0 2.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.373 . . . . 0.0 110.888 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.23 19.48 9.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.8 m -141.72 156.41 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.193 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.499 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -126.15 -174.89 3.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.558 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 8.7 m-70 -159.66 136.12 9.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.532 ' HA ' HG22 ' A' ' 73' ' ' THR . 50.6 p -44.42 -49.42 9.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.171 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.475 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 5.9 m -149.67 171.57 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.777 HD11 ' CD2' ' A' ' 51' ' ' TYR . 34.6 mt -45.62 -46.03 14.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.947 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.51 -57.85 5.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.866 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.94 -6.53 39.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.649 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -100.28 -20.89 15.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.528 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 60.0 t -81.28 -42.43 19.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.3 m -65.68 -46.35 79.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -62.63 -29.48 70.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.442 ' CD2' HD22 ' A' ' 53' ' ' LEU . 2.9 m-70 -71.38 -29.46 64.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.937 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -64.74 -15.82 62.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -115.25 -27.7 7.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -124.65 108.33 28.78 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.581 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.7 Cg_endo -69.78 179.28 3.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.64 2.226 . . . . 0.0 112.338 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.849 HG21 ' CE1' ' A' ' 64' ' ' PHE . 1.9 mm -80.86 149.17 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.522 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.6 tt0 -42.0 -58.61 3.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.651 0.738 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.761 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.82 -51.19 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.753 2.302 . . . . 0.0 112.3 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -93.81 114.27 26.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.07 -17.64 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.79 142.87 17.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.581 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.8 mt -108.11 175.63 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.929 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.715 HD22 ' HB3' ' A' ' 40' ' ' PHE . 31.5 mt -98.13 159.33 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.56 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.2 p -122.84 -57.77 1.7 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.101 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.423 ' N ' ' OG1' ' A' ' 106' ' ' THR . 17.6 pt20 -151.19 151.29 29.11 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.578 0.704 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 143.3 50.46 Favored 'Trans proline' 0 N--CA 1.465 -0.205 0 C-N-CA 122.698 2.265 . . . . 0.0 112.388 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.2 t -76.81 161.32 28.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 mmt85 -116.99 136.99 52.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.419 ' HA ' ' CE1' ' A' ' 20' ' ' HIS . 1.9 pt20 -58.03 150.05 21.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -48.36 147.07 2.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -68.6 84.41 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.8 m -159.37 123.32 3.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -75.11 146.08 34.34 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.497 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -178.5 2.35 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 m -158.91 110.94 2.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 82.8 p -39.02 -55.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.794 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -83.85 -49.99 8.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.901 0.381 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 m -69.26 -54.98 11.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.816 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.93 47.05 20.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.434 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.8 t -168.66 149.79 4.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.944 0.402 . . . . 0.0 110.807 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -160.72 112.41 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.812 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.5 142.77 10.96 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.522 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.91 143.53 17.77 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -115.74 39.85 2.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.342 . . . . 0.0 110.894 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.25 37.08 2.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -109.49 146.3 34.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -125.58 137.57 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -146.67 121.68 10.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -102.22 30.08 11.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.61 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.3 p -139.24 138.02 20.09 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.638 0.732 . . . . 0.0 111.101 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.2 Cg_endo -69.81 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.669 2.246 . . . . 0.0 112.349 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.46 -27.36 13.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.519 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 61.0 p-90 -73.45 -12.45 60.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.967 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -97.14 105.06 17.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.567 ' CE1' HD22 ' A' ' 31' ' ' LEU . 10.3 m-70 -101.61 34.7 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.838 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 53.92 -130.29 43.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.485 ' HB1' ' CE1' ' A' ' 46' ' ' HIS . . . -105.72 99.48 9.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.777 0.322 . . . . 0.0 111.109 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.446 HD11 ' HB3' ' A' ' 43' ' ' ARG . 22.3 pt -111.59 177.06 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.141 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 27' ' ' ASP . 57.7 m -107.28 147.45 30.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.82 -45.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -61.1 -43.81 98.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.929 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 24' ' ' SER . 91.0 m-20 -58.25 -58.15 9.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.55 -53.29 7.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -58.23 -38.38 76.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -72.24 -27.93 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 20' ' ' HIS . 4.8 mt -72.94 -28.87 62.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.702 HD21 HD12 ' A' ' 41' ' ' LEU . 22.9 mt -93.46 -31.01 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.959 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.8 pt-20 -46.29 -44.46 16.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.438 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 26.2 m -94.08 32.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.825 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -131.08 156.25 80.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 153.55 69.1 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.589 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -55.74 124.53 17.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.62 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 112.17 -9.35 26.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 m -66.65 119.28 11.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.98 0.419 . . . . 0.0 110.826 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.77 ' CE1' HG11 ' A' ' 90' ' ' VAL . 19.1 p90 -107.34 152.41 24.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.912 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -161.6 141.23 10.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.747 HD13 HD22 ' A' ' 86' ' ' LEU . 56.3 mt -110.29 157.66 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.506 ' N ' HG22 ' A' ' 42' ' ' ILE . 4.5 ptm180 -143.47 136.43 27.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 97.4 t -57.3 91.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.0 t -54.31 153.43 5.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.485 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 67.1 m80 -121.13 -37.68 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.7 m -48.47 -68.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -107.45 161.97 14.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.826 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 49' ' ' VAL . 7.2 p -70.14 111.62 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 146.67 -133.06 4.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.531 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.422 ' CD2' HD11 ' A' ' 86' ' ' LEU . 51.1 m-85 -144.53 -175.26 4.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.012 0.434 . . . . 0.0 110.88 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.727 HG23 ' O ' ' A' ' 64' ' ' PHE . 96.4 m -145.63 110.05 5.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.128 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -86.69 143.54 27.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 m -151.74 162.89 40.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -167.55 148.35 5.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -70.73 118.16 13.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.927 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -105.95 160.06 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.076 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 57' ' ' ALA . 5.7 mm-40 -36.53 93.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 57' ' ' ALA . 2.0 t 47.64 47.99 17.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.927 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 1.9 p -175.73 117.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.789 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.5 t -91.97 145.92 24.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.938 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.3 t -128.72 161.23 30.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -142.07 105.84 4.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.532 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.727 ' O ' HG23 ' A' ' 52' ' ' THR . 28.3 m-85 -92.36 156.52 17.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.5 ptm -110.38 140.96 44.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 61.3 t -124.24 122.97 65.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 166.51 13.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 0.9 OUTLIER -112.4 89.94 3.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.956 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.645 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.2 mm? -45.25 170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.01 -23.25 48.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -80.47 9.36 6.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.38 19.92 77.64 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.2 p -108.67 176.61 5.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 111.119 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.472 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 19.8 m-85 -130.66 135.3 47.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.645 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.5 tpt -147.77 141.06 25.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.65 HG23 ' HD2' ' A' ' 77' ' ' PRO . 24.2 mt -91.14 138.47 25.84 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.676 0.75 . . . . 0.0 111.092 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.65 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.0 Cg_endo -69.69 82.72 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.358 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 163.95 -28.13 0.22 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.5 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -85.51 -177.47 6.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.947 0.403 . . . . 0.0 110.898 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -121.69 1.74 10.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -132.54 148.87 31.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.4 -177.37 3.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.494 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 27.2 m-70 -147.79 165.06 31.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 72.4 p -75.67 -43.64 46.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.438 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 56.4 m -151.12 163.09 39.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.843 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.747 HD22 HD13 ' A' ' 42' ' ' ILE . 44.1 mt -42.33 -49.41 5.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -47.97 -54.09 13.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.83 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.82 -9.79 59.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.494 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.63 -20.58 17.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.77 HG11 ' CE1' ' A' ' 40' ' ' PHE . 81.3 t -83.2 -38.57 14.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.2 m -62.38 -46.57 88.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -65.56 -32.18 73.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -67.21 -32.93 74.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -62.5 -19.06 63.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -111.41 -29.3 7.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -121.49 119.22 29.43 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.524 0.678 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.553 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.9 Cg_endo -69.75 -170.82 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.788 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.7 mm -97.85 150.17 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.127 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.524 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.6 tt0 -42.07 -58.83 3.05 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.74 0.781 . . . . 0.0 110.979 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.788 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.8 Cg_endo -69.75 -54.0 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.352 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.481 ' N ' ' HD3' ' A' ' 101' ' ' ARG . 0.4 OUTLIER -94.22 120.55 34.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.4 ppt_? -83.27 -10.47 58.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.81 138.56 58.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.553 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.3 mt -102.95 -176.33 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 40' ' ' PHE . 11.7 mt -108.86 172.41 6.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.62 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.6 p -134.39 -53.05 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -154.92 151.94 24.33 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.606 0.717 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 142.84 48.94 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 51.5 t -77.55 161.83 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.9 mmm-85 -113.24 154.2 27.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 20.0 mp0 -66.36 155.09 38.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -58.95 86.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -163.96 161.12 22.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 t -130.39 -55.37 1.09 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.787 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 154.59 66.42 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 125.75 12.52 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.281 . . . . 0.0 112.353 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.2 t -97.6 59.75 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 34.4 t -103.43 146.44 28.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.497 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.244 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -107.12 43.57 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.928 0.394 . . . . 0.0 110.822 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.0 p -134.61 -63.44 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.26 -124.16 7.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -136.38 146.44 46.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.817 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 p -68.39 -3.32 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.68 -100.48 0.27 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.99 -103.79 0.38 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.481 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -110.53 86.67 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.1 mt -108.53 146.69 32.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -153.15 136.55 15.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -143.51 131.25 21.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -121.52 133.54 55.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 77.65 39.31 25.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.505 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 16' ' ' PRO . 87.3 t -135.02 138.64 29.9 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.651 0.739 . . . . 0.0 111.167 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 15' ' ' VAL . 53.5 Cg_endo -69.78 -163.81 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.397 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.501 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.2 pt-20 -101.28 -29.34 12.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -73.52 -10.7 59.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -98.87 92.38 5.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.593 ' CE1' HD22 ' A' ' 31' ' ' LEU . 23.9 m-70 -86.48 25.16 1.26 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.42 -117.79 10.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.79 85.88 2.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.802 0.334 . . . . 0.0 111.076 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.6 pt -97.84 178.67 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 m -105.07 169.33 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.9 ttt180 -55.73 -55.27 34.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 17.9 pm0 -57.45 -30.18 64.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.473 ' N ' ' HG2' ' A' ' 26' ' ' GLU . 8.0 m-20 -73.18 -50.99 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.16 -51.16 67.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -60.17 -35.74 76.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.803 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -72.92 -24.67 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.795 HD21 ' HD2' ' A' ' 112' ' ' LYS . 4.8 mt -76.82 -25.81 53.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.773 HD11 HD12 ' A' ' 41' ' ' LEU . 25.5 mt -99.32 -25.92 14.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.979 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.4 pt-20 -51.96 -47.08 64.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 16.4 m -84.79 12.81 6.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -114.42 153.41 46.57 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.619 0.723 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 151.74 69.51 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.63 2.22 . . . . 0.0 112.403 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.548 HD21 ' C ' ' A' ' 57' ' ' ALA . 0.3 OUTLIER -50.17 126.76 15.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.949 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.613 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 115.79 -25.39 9.59 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.492 ' O ' HD22 ' A' ' 32' ' ' LEU . 30.7 m -56.85 119.63 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.86 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.622 ' CE1' ' CG1' ' A' ' 90' ' ' VAL . 25.2 p90 -108.97 157.24 18.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.816 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.69 150.32 11.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.663 ' N ' HD22 ' A' ' 41' ' ' LEU . 14.7 mt -120.86 157.02 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.121 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.502 ' N ' HG22 ' A' ' 42' ' ' ILE . 10.3 ptt85 -147.48 117.24 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.952 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 43' ' ' ARG . 47.5 t -37.28 133.85 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.0 t -94.32 158.52 15.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.445 ' O ' ' C ' ' A' ' 47' ' ' SER . 29.9 m170 -122.59 -62.26 1.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 46' ' ' HIS . 12.2 t -35.04 -45.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.5 p-80 -131.14 143.01 50.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 49' ' ' VAL . 8.6 p -62.49 119.47 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.556 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 149.57 -124.44 1.79 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.556 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 59.1 m-85 -161.89 -177.1 5.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 110.931 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 64' ' ' PHE . 95.3 m -142.96 118.41 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.781 HD13 ' C ' ' A' ' 53' ' ' LEU . 0.8 OUTLIER -94.49 132.34 39.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.629 ' N ' HD22 ' A' ' 53' ' ' LEU . 3.1 m -140.53 156.55 46.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.523 ' CE1' ' SG ' ' A' ' 62' ' ' CYS . 53.8 p90 -168.73 147.08 4.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.906 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -62.18 131.5 49.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.548 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -122.27 144.73 48.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.444 ' N ' HD21 ' A' ' 37' ' ' LEU . 8.2 mt-30 -37.58 -45.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 m -74.03 -63.98 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 m -170.44 161.53 7.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.425 ' SG ' HD12 ' A' ' 32' ' ' LEU . 2.8 t -44.04 144.22 0.97 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 55' ' ' TYR . 29.6 p -118.33 146.02 44.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -125.89 112.78 16.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.575 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.783 ' O ' HG23 ' A' ' 52' ' ' THR . 53.3 m-85 -117.7 149.45 40.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.9 ptm -109.02 145.23 35.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 85.2 t -121.45 118.91 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.6 mtmt -85.59 165.5 17.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.457 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.0 OUTLIER -109.0 106.05 15.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.528 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.6 mm? -63.27 157.73 22.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -70.92 -23.83 62.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -74.0 -5.85 43.85 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.72 12.41 55.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.538 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.473 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 30.9 p -104.76 -178.84 3.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.857 0.361 . . . . 0.0 111.085 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.578 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 0.4 OUTLIER -141.8 126.85 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . . . . . . . . . 12.4 ptm -142.28 157.99 44.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.659 HG23 ' HD2' ' A' ' 77' ' ' PRO . 22.8 mt -88.8 138.28 29.62 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.703 . . . . 0.0 111.175 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.1 Cg_endo -69.76 90.8 0.51 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.742 2.295 . . . . 0.0 112.331 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.08 -21.16 0.76 Allowed Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -90.68 -178.96 5.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.986 0.422 . . . . 0.0 110.829 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.59 22.41 10.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.12 156.08 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.32 -177.92 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.492 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 14.0 m-70 -152.45 139.96 19.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 44.1 p -45.24 -48.98 12.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.578 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 5.8 m -153.43 174.29 14.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.8 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.565 ' O ' HG23 ' A' ' 90' ' ' VAL . 55.9 mt -46.51 -45.12 18.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -56.46 12.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.873 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.69 39.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.655 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -98.62 -19.3 17.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.971 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.622 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 79.0 t -84.47 -38.55 13.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.062 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 66.6 m -66.14 -51.03 61.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 96' ' ' LYS . 36.5 t80 -56.96 -30.72 64.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.476 ' HB3' HD11 ' A' ' 105' ' ' LEU . 3.2 m-70 -66.76 -35.37 79.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -62.68 -11.28 16.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -121.54 -28.28 4.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -125.79 111.72 24.95 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.596 0.712 . . . . 0.0 110.894 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.689 ' HD3' HD21 ' A' ' 104' ' ' LEU . 52.9 Cg_endo -69.73 -168.35 0.27 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.661 2.241 . . . . 0.0 112.336 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.635 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -99.31 151.78 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 2.0 tt0 -41.74 -58.76 2.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.635 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.8 Cg_endo -69.79 -51.01 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.742 2.294 . . . . 0.0 112.308 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' ILE . 71.2 mmt-85 -96.22 117.56 31.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.817 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.24 -14.42 50.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -54.48 144.94 19.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.689 HD21 ' HD3' ' A' ' 97' ' ' PRO . 14.4 mt -108.94 169.31 8.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 93' ' ' HIS . 10.2 mt -97.12 159.64 14.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.613 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.6 p -123.45 -54.48 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.149 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -150.94 152.74 32.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.558 0.694 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 144.39 53.79 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.608 2.205 . . . . 0.0 112.369 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 47.8 t -74.01 162.38 29.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.501 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 6.4 mmt180 -120.48 135.9 54.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 113' ' ' ASP . 10.6 mt-30 -51.15 151.39 2.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.795 ' HD2' HD21 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -42.13 95.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.936 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 111' ' ' GLN . 3.9 t70 -161.26 167.07 26.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.2 t -88.97 -56.52 3.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -178.57 90.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -28.77 24.8 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.655 2.236 . . . . 0.0 112.341 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.1 m -63.54 137.52 58.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.813 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 96.4 p -110.14 124.19 51.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.441 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.254 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.5 p -91.24 -47.96 7.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.9 m -75.01 130.79 39.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.829 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.04 105.57 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 m -85.49 132.03 34.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.878 0.371 . . . . 0.0 110.901 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -142.36 117.34 9.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.782 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.51 -157.17 8.04 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.529 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.29 -124.85 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.442 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -149.64 146.68 27.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 110.936 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -70.44 178.12 3.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -116.84 145.97 43.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.104 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -85.91 90.65 8.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 p30 -173.03 115.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.907 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.52 30.59 58.05 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.462 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.606 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.1 p -142.25 137.75 15.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.605 0.717 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.606 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.6 Cg_endo -69.8 172.37 12.8 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.637 2.225 . . . . 0.0 112.387 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -82.13 -40.59 21.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.502 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 61.1 p-90 -57.79 -15.23 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.996 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -95.39 89.78 5.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -86.44 40.03 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.81 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 39.46 -102.25 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.657 ' HB1' ' NE2' ' A' ' 46' ' ' HIS . . . -131.35 90.13 2.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.711 0.291 . . . . 0.0 111.072 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.418 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 19.7 pt -99.93 174.29 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 25' ' ' ARG . 1.8 p -100.99 139.69 36.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 24' ' ' SER . 14.1 ttm180 -34.63 -38.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -66.02 -52.16 51.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -57.36 -38.01 73.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.74 71.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.085 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.1 -36.61 82.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.34 -23.47 57.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 mt -76.0 -28.97 58.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.722 HD22 ' O ' ' A' ' 39' ' ' SER . 46.4 mt -95.58 -28.83 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.2 pt-20 -50.44 -47.96 56.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.505 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 58.0 m -86.07 21.67 1.93 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -123.05 153.24 64.28 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.618 0.723 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 149.77 67.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -47.31 131.21 13.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.612 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 110.17 -27.32 11.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.511 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.722 ' O ' HD22 ' A' ' 32' ' ' LEU . 6.2 m -52.37 106.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.371 . . . . 0.0 110.822 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.665 ' HB3' HD22 ' A' ' 105' ' ' LEU . 32.8 p90 -97.18 160.45 14.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.823 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.803 HD22 ' N ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -164.71 164.07 21.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.857 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.803 ' N ' HD22 ' A' ' 41' ' ' LEU . 30.4 mt -134.89 158.0 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.523 ' N ' HG22 ' A' ' 42' ' ' ILE . 6.2 ptm180 -150.86 109.78 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' ARG . 51.5 t -34.73 138.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.0 m -86.51 148.57 25.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.657 ' NE2' ' HB1' ' A' ' 22' ' ' ALA . 27.3 m-70 -120.62 -35.71 3.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 76.1 p -71.28 -25.83 62.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' A' ' 48' ' ' HIS . 4.2 p-80 -147.6 121.51 9.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.615 ' O ' HG13 ' A' ' 49' ' ' VAL . 9.3 p -41.81 108.41 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.482 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 154.89 -144.31 10.95 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.504 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.482 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 4.2 m-85 -141.89 -175.55 4.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 110.956 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.6 m -148.31 106.55 3.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.776 HD13 ' C ' ' A' ' 53' ' ' LEU . 2.0 tm? -79.67 130.83 35.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.574 ' N ' HD13 ' A' ' 53' ' ' LEU . 2.9 m -141.42 159.65 41.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.482 ' CD2' HD21 ' A' ' 105' ' ' LEU . 30.0 p90 -173.68 153.4 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -69.1 126.45 29.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.535 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -118.62 143.26 46.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.495 ' N ' HD21 ' A' ' 37' ' ' LEU . 22.7 mm-40 -34.79 -47.86 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 t -68.67 -65.84 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.3 m -174.64 154.43 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 47.9 t -42.55 140.86 1.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.39 175.61 5.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.953 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -150.75 105.12 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.574 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.833 ' CD2' HG21 ' A' ' 98' ' ' ILE . 24.4 m-85 -103.22 123.99 47.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 21.8 ptm -76.97 138.8 39.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.0 t -119.63 114.56 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -87.34 163.89 16.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.542 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 3.3 tt -109.98 102.68 11.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.687 HD22 ' H ' ' A' ' 69' ' ' LEU . 2.9 mm? -51.93 -177.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -91.1 -19.68 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -86.69 26.79 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.33 20.98 61.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.4 p -111.35 -175.46 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.115 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.542 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 30.7 m-85 -136.43 145.55 45.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.662 ' HB3' HD21 ' A' ' 69' ' ' LEU . 6.9 ttt -156.0 136.39 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.678 HG23 ' HD2' ' A' ' 77' ' ' PRO . 69.6 mt -79.61 138.92 54.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.682 0.753 . . . . 0.0 111.065 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.678 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.6 Cg_endo -69.83 84.3 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.28 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.66 -18.6 1.13 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -84.49 -178.11 6.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.67 18.65 8.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.924 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.483 HG21 ' CE1' ' A' ' 92' ' ' PHE . 3.4 m -146.75 159.54 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.175 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.481 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -128.81 -175.45 3.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.494 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 14.7 m-70 -159.65 156.25 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.845 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.2 p -65.32 -52.82 51.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.6 m -138.9 177.13 8.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.779 HD12 ' CD1' ' A' ' 42' ' ' ILE . 2.8 mm? -52.69 -49.6 64.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.51 -57.2 4.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.843 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.36 -7.63 48.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.526 HD22 ' CD1' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -100.49 -18.98 16.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.912 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 86' ' ' LEU . 76.9 t -87.01 -46.7 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.099 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.4 m -54.64 -37.69 65.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.154 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.483 ' CE1' HG21 ' A' ' 81' ' ' VAL . 35.8 t80 -73.01 -31.41 64.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -66.91 -30.28 70.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -66.93 -14.21 62.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -116.15 -25.64 7.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -125.94 116.23 24.17 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.588 0.708 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.784 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.4 Cg_endo -69.81 -168.12 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.32 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.833 HG21 ' CD2' ' A' ' 64' ' ' PHE . 1.7 mm -98.34 141.24 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.526 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.8 tt0 -36.68 -58.68 1.0 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.745 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.1 Cg_endo -69.72 -46.86 1.09 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.734 2.289 . . . . 0.0 112.326 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' ILE . 28.2 mmt180 -103.13 114.64 29.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.85 17.75 1.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -84.78 134.02 34.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.784 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.7 mt -97.51 179.43 4.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.665 HD22 ' HB3' ' A' ' 40' ' ' PHE . 21.1 mt -107.9 169.75 8.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.981 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.612 HG23 ' HA3' ' A' ' 38' ' ' GLY . 9.1 p -131.61 -59.33 0.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.187 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.402 ' N ' ' OG1' ' A' ' 106' ' ' THR . 12.1 pt20 -146.46 152.83 46.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 143.28 50.31 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.711 2.274 . . . . 0.0 112.308 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 41.1 t -79.74 158.49 26.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -115.95 136.25 53.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.813 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -61.01 155.37 20.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -58.64 170.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -81.11 142.41 33.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.0 m -111.35 98.65 7.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 54.4 -157.23 6.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.511 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -174.27 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.662 2.241 . . . . 0.0 112.359 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 46.4 p -111.71 -44.18 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 79.7 p -171.57 136.6 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 p 37.92 42.15 0.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.912 0.387 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 t -61.2 112.81 2.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.53 103.18 0.99 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 t -145.11 120.55 10.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -155.06 149.4 26.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.03 121.49 1.37 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 85.05 106.4 0.65 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.444 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -118.24 160.61 21.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.29 107.27 19.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.79 159.85 12.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -59.63 105.55 0.38 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -163.52 140.14 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.94 42.84 0.65 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.451 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.416 ' CG2' ' HD2' ' A' ' 16' ' ' PRO . 5.7 p -134.61 134.59 22.39 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.649 0.738 . . . . 0.0 111.163 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.536 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.6 Cg_endo -69.85 179.63 3.61 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' OE2' ' CZ ' ' A' ' 110' ' ' ARG . 5.0 pt-20 -82.74 -41.95 18.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.827 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.615 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 62.7 p-90 -58.54 -17.13 18.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' CE1' ' HA2' ' A' ' 21' ' ' GLY . 44.0 t80 -95.15 95.73 8.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.465 ' O ' HG23 ' A' ' 23' ' ' ILE . 12.6 m-70 -89.95 37.71 0.9 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.539 ' HA2' ' CE1' ' A' ' 19' ' ' PHE . . . 46.03 -112.97 0.92 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.506 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -119.29 97.65 5.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.727 0.298 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.465 HG23 ' O ' ' A' ' 20' ' ' HIS . 31.0 pt -105.61 173.22 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.162 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.405 ' CB ' ' OE2' ' A' ' 26' ' ' GLU . 2.0 m -97.98 160.97 13.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -54.0 -44.61 71.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 27' ' ' ASP . 8.6 pm0 -67.04 -30.31 70.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' N ' ' HG2' ' A' ' 26' ' ' GLU . 94.0 m-20 -67.91 -65.77 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.409 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -37.69 -50.3 1.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -60.57 -40.71 92.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' ASP . 16.5 m-20 -72.96 -24.68 60.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.6 mt -75.24 -27.96 59.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.993 HD21 HD12 ' A' ' 41' ' ' LEU . 44.7 mt -97.1 -29.15 13.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.7 pt-20 -50.43 -48.65 56.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.513 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.2 t -85.61 24.92 1.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -126.8 153.88 75.95 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.547 0.689 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 149.29 66.68 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.656 2.238 . . . . 0.0 112.369 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.604 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -46.66 135.03 9.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 106.81 -30.63 9.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.512 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.4 m -46.86 121.0 3.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.99 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.0 p90 -111.94 161.02 16.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.993 HD12 HD21 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -165.64 150.89 8.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.723 HD13 HD12 ' A' ' 86' ' ' LEU . 21.3 mt -121.09 141.83 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.426 ' CB ' HG12 ' A' ' 23' ' ' ILE . 19.2 ptt85 -135.08 115.89 13.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' ARG . 72.8 t -37.49 119.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.7 t -72.76 148.25 44.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -117.42 -41.42 2.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.0 m -56.25 -64.57 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -108.61 143.85 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.635 ' O ' HG13 ' A' ' 49' ' ' VAL . 13.6 p -57.37 109.9 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 149.92 -151.95 23.95 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -127.06 168.02 15.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.936 0.398 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.6 m -132.62 106.55 7.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.8 tp -83.52 145.74 28.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.8 m -150.66 161.74 42.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.574 ' CE2' ' CE1' ' A' ' 64' ' ' PHE . 6.4 p90 -174.4 147.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.8 tptm -64.0 129.06 38.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.836 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.517 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -119.85 141.96 49.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.449 ' N ' HD21 ' A' ' 37' ' ' LEU . 19.0 mt-30 -34.26 -44.92 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.4 t -73.66 -63.14 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -173.08 163.85 4.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.808 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.5 t -43.08 142.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 71.8 m -119.2 154.84 32.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -135.81 106.28 6.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.383 1.052 . . . . 0.0 109.572 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.585 ' CE2' HG13 ' A' ' 98' ' ' ILE . 38.5 m-85 -102.32 139.19 38.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.86 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.4 ptm -91.75 134.33 34.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 77.7 t -115.67 99.57 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.5 mtmt -69.39 160.38 31.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.519 HD22 ' N ' ' A' ' 69' ' ' LEU . 1.7 tm? -114.24 115.23 27.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.86 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.577 HD22 ' N ' ' A' ' 69' ' ' LEU . 2.1 mm? -75.99 156.33 34.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -69.87 -7.78 43.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -91.9 13.03 19.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.99 19.75 78.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.559 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.422 ' O ' HD22 ' A' ' 68' ' ' LEU . 76.5 p -109.76 177.23 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.777 0.322 . . . . 0.0 111.183 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.481 ' CD1' HD23 ' A' ' 68' ' ' LEU . 8.7 m-85 -136.44 126.85 26.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.482 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.7 tpt -138.25 144.68 40.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.657 HG23 ' HD2' ' A' ' 77' ' ' PRO . 41.2 mt -94.7 138.53 22.2 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.642 0.734 . . . . 0.0 111.118 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.4 Cg_endo -69.74 79.91 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.692 2.261 . . . . 0.0 112.349 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 167.62 -36.79 0.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -75.25 -175.38 2.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.911 0.386 . . . . 0.0 110.931 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -123.79 7.8 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.85 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.28 147.64 22.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.179 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.71 -175.42 2.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 30.9 m-70 -151.13 155.96 40.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 56.1 p -72.89 -37.85 67.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.5 m -153.82 159.81 41.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.723 HD12 HD13 ' A' ' 42' ' ' ILE . 3.2 mm? -39.71 -52.07 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -44.74 -55.14 5.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.66 -11.42 60.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.573 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.72 -20.29 18.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.614 HG11 ' CE1' ' A' ' 40' ' ' PHE . 99.3 t -85.53 -49.8 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.3 m -54.48 -47.19 73.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -61.69 -41.34 97.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.573 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.9 m-70 -58.96 -42.19 89.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -47.8 -20.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -111.1 -28.07 8.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.89 117.36 29.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.514 0.673 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.3 Cg_endo -69.77 -174.32 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.785 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.2 mm -95.04 141.05 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.083 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.0 OUTLIER -36.3 -58.37 0.98 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.672 0.749 . . . . 0.0 110.902 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.785 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.2 Cg_endo -69.77 -49.94 0.51 Allowed 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.599 2.2 . . . . 0.0 112.373 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -100.49 114.89 28.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.46 -5.63 50.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -62.63 138.65 58.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.483 HD21 ' HD3' ' A' ' 97' ' ' PRO . 11.3 mt -104.67 168.47 9.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.99 HD22 ' HB3' ' A' ' 40' ' ' PHE . 35.5 mt -93.72 163.93 13.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.561 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.9 p -130.83 -57.78 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.409 ' N ' ' OG1' ' A' ' 106' ' ' THR . 10.1 pt20 -149.04 151.64 34.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.545 0.688 . . . . 0.0 110.954 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.429 ' CB ' ' HB3' ' A' ' 18' ' ' TRP . 54.1 Cg_endo -69.71 143.45 51.13 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.748 2.299 . . . . 0.0 112.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 9.0 t -76.89 167.98 20.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.487 ' CZ ' ' OE2' ' A' ' 17' ' ' GLU . 8.5 mmt180 -124.8 137.61 54.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -51.65 169.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -85.85 142.28 29.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -66.33 149.92 49.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.2 m -106.89 -58.6 1.91 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 123.31 91.64 1.01 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.378 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 107.29 1.83 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.638 2.225 . . . . 0.0 112.365 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -65.7 159.06 25.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 80.3 p -141.94 177.41 8.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.471 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.232 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.1 m -124.98 83.3 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.954 0.407 . . . . 0.0 110.904 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -133.54 168.61 18.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.845 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.67 96.13 0.15 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -102.5 -43.24 5.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.388 . . . . 0.0 110.907 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -87.9 -47.47 8.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.97 117.81 10.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.489 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 131.66 -85.06 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.554 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -167.33 159.0 12.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.922 -179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.554 HD12 ' C ' ' A' ' 9' ' ' GLN . 6.3 mp -140.17 166.89 23.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.29 -32.22 8.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.04 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -107.4 81.41 1.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -161.53 165.88 27.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.13 51.51 0.12 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.541 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG23 ' HD2' ' A' ' 16' ' ' PRO . 14.5 p -143.34 136.77 14.11 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.596 0.712 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.514 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.3 Cg_endo -69.82 178.46 4.59 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.626 2.217 . . . . 0.0 112.374 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -90.49 -27.58 19.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.482 ' CZ2' ' HG3' ' A' ' 16' ' ' PRO . 61.2 p-90 -73.11 -5.27 38.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.49 ' CE2' ' HA2' ' A' ' 21' ' ' GLY . 81.6 t80 -102.4 102.58 12.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.489 ' HE1' HD22 ' A' ' 31' ' ' LEU . 29.0 m-70 -96.11 39.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.825 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.49 ' HA2' ' CE2' ' A' ' 19' ' ' PHE . . . 40.25 -104.71 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.09 94.83 3.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.779 0.323 . . . . 0.0 111.153 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.405 HG12 ' CB ' ' A' ' 43' ' ' ARG . 19.0 pt -103.65 175.84 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 26' ' ' GLU . 18.8 m -99.53 145.6 27.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' NH1' ' OE2' ' A' ' 29' ' ' GLU . 3.0 tmm_? -39.63 -29.27 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' SER . 8.9 mt-10 -79.22 -49.93 11.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -51.47 -45.15 62.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -57.61 -54.16 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' OE2' ' NH1' ' A' ' 25' ' ' ARG . 18.8 mt-10 -60.6 -38.75 85.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -73.99 -25.34 59.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.489 HD22 ' HE1' ' A' ' 20' ' ' HIS . 5.1 mt -74.27 -27.35 60.7 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.64 HD11 ' CD1' ' A' ' 41' ' ' LEU . 25.3 mt -97.8 -28.47 13.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.456 ' CG ' ' N ' ' A' ' 34' ' ' SER . 8.1 pt-20 -51.98 -44.93 64.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 17.8 m -88.19 18.19 4.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.82 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -117.36 156.53 48.85 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.61 0.719 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 149.76 66.86 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.668 2.245 . . . . 0.0 112.309 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.565 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -49.67 130.26 20.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.625 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 108.51 -23.3 24.78 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.49 ' O ' HD22 ' A' ' 32' ' ' LEU . 22.2 m -56.13 119.41 5.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.766 ' HB3' HD22 ' A' ' 105' ' ' LEU . 33.4 p90 -108.21 168.33 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.737 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -170.59 162.35 7.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.694 ' N ' HD22 ' A' ' 41' ' ' LEU . 11.4 mt -132.57 147.31 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 44' ' ' VAL . 18.4 ptt85 -139.82 115.48 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 43' ' ' ARG . 53.0 t -33.94 139.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.7 t -124.86 130.34 52.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 44.8 m-70 -95.05 -16.73 22.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.853 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.1 t -52.0 -62.62 1.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.491 ' O ' ' N ' ' A' ' 50' ' ' GLY . 17.5 p-80 -114.15 43.09 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 49' ' ' VAL . 9.4 p 34.39 32.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.234 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.602 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -123.1 -127.39 3.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 21.5 m-85 -152.61 162.64 40.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.965 0.412 . . . . 0.0 110.897 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.8 m -124.61 110.8 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 tp -90.56 129.13 36.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.1 m -138.49 161.5 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.782 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.464 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 14.0 p90 -169.59 145.76 3.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.937 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -63.14 127.57 31.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.939 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -121.3 145.2 48.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 57' ' ' ALA . 20.8 mp0 -35.02 -43.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.8 t -74.62 -72.25 0.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.0 p -164.94 158.34 17.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.1 t -43.88 137.73 3.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.2 m -111.67 163.87 13.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -143.24 108.54 5.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.616 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.583 ' CD1' HG21 ' A' ' 98' ' ' ILE . 36.9 m-85 -110.6 135.57 51.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.6 ptm -91.39 141.04 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.7 t -123.8 108.08 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.142 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? -75.55 169.56 17.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.954 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.564 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.7 tt -115.17 84.92 2.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.648 ' N ' HD23 ' A' ' 69' ' ' LEU . 2.0 mt -39.8 144.62 0.18 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.93 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.86 -15.94 60.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -86.05 24.07 1.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.74 23.43 67.2 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.533 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.574 ' OG1' HD12 ' A' ' 69' ' ' LEU . 75.4 p -121.93 168.19 12.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 111.087 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.572 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 7.0 m-85 -124.1 136.87 54.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.504 ' HB3' HD21 ' A' ' 69' ' ' LEU . 1.1 ttt -149.93 134.86 17.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.863 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.5 mt -77.29 132.08 70.73 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.651 0.738 . . . . 0.0 111.179 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 83.6 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.738 2.292 . . . . 0.0 112.318 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.0 -17.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.496 ' OE2' ' N ' ' A' ' 99' ' ' GLU . 32.5 mm-40 -99.37 -175.97 3.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.977 0.418 . . . . 0.0 110.903 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.412 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -121.54 20.44 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -141.22 157.01 22.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.416 ' C ' ' CG ' ' A' ' 83' ' ' HIS . . . -129.38 -177.4 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 12.3 m-70 -155.05 150.51 27.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.2 p -58.6 -48.54 80.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.171 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.572 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 37.4 m -148.83 162.56 39.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.984 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.1 mp -39.17 -44.91 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -50.08 -61.29 2.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.803 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.67 -7.35 26.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.556 ' HB2' ' CD2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.38 -22.93 16.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.954 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.984 HG23 ' O ' ' A' ' 86' ' ' LEU . 16.4 t -80.0 -46.65 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 95.0 m -60.49 -40.75 92.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.136 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -68.97 -26.06 64.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.42 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 5.0 m-70 -73.0 -37.69 66.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.838 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -58.06 -19.23 30.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -110.43 -25.0 10.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -124.58 116.91 26.5 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.6 0.714 . . . . 0.0 110.901 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.87 -175.6 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.623 2.215 . . . . 0.0 112.332 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.729 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.1 mm -93.13 142.6 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.527 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.3 tt0 -36.75 -58.51 1.04 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.729 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.5 Cg_endo -69.82 -48.73 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.647 2.231 . . . . 0.0 112.313 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.2 mmm180 -99.47 114.44 27.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.72 -3.99 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.56 144.64 55.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 13.3 mt -107.16 175.19 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.766 HD22 ' HB3' ' A' ' 40' ' ' PHE . 13.2 mt -99.84 164.59 11.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.625 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.7 p -124.06 -55.12 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -153.17 152.5 27.98 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.625 0.726 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 144.59 54.5 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.336 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 13.9 t -76.84 166.28 23.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -122.12 131.7 54.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -54.51 172.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.409 ' HG3' HD21 ' A' ' 31' ' ' LEU . 44.9 mttm -85.06 34.5 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -119.83 -53.32 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.2 m -90.34 58.28 3.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -102.52 141.58 15.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.74 -31.52 20.48 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.593 2.195 . . . . 0.0 112.392 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.0 t -106.61 154.61 20.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 70.5 m -109.54 159.65 16.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.528 -179.946 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 t -77.49 153.45 33.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.886 0.374 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -94.33 157.76 15.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.821 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.2 161.04 28.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.461 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.7 p -89.87 88.75 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.368 . . . . 0.0 110.907 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -124.23 148.07 47.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.886 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.18 104.19 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.24 147.29 18.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.471 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -101.25 164.72 11.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.956 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.4 mt -138.32 123.91 19.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.98 173.31 10.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.061 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -105.23 77.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -114.71 105.69 13.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.28 46.94 1.05 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.45 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.545 HG23 ' HD2' ' A' ' 16' ' ' PRO . 12.6 p -142.05 137.12 15.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.696 0.76 . . . . 0.0 111.1 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.545 ' HD2' HG23 ' A' ' 15' ' ' VAL . 53.4 Cg_endo -69.87 176.34 6.99 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.62 2.213 . . . . 0.0 112.345 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' OE2' ' NE ' ' A' ' 110' ' ' ARG . 5.5 pt-20 -88.22 -34.13 17.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.424 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 56.3 p-90 -69.37 -5.26 22.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -103.31 94.01 5.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -89.31 34.9 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 46.54 -110.81 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.468 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.37 99.04 6.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.089 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.446 ' CG1' ' HB3' ' A' ' 43' ' ' ARG . 12.8 pt -108.74 169.75 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.9 m -96.59 165.12 12.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.7 -43.02 68.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -67.67 -37.69 82.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -49.91 69.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.27 -48.92 73.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.084 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -66.72 -39.73 88.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -72.22 -23.71 61.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.13 -28.57 57.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.795 HD21 HD12 ' A' ' 41' ' ' LEU . 33.5 mt -97.18 -27.53 14.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.595 ' HA ' ' HZ3' ' A' ' 56' ' ' LYS . 5.7 pt-20 -51.6 -49.71 61.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.4 t -85.38 25.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -124.77 154.72 70.54 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 110.857 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 149.61 66.71 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.688 2.259 . . . . 0.0 112.281 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.566 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -48.94 130.81 18.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.566 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 109.48 -22.41 24.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.457 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.502 ' O ' HD22 ' A' ' 32' ' ' LEU . 19.4 m -57.47 120.15 7.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.905 0.384 . . . . 0.0 110.851 -179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.752 ' HB3' HD22 ' A' ' 105' ' ' LEU . 44.6 p90 -111.87 164.42 13.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.835 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -167.14 155.43 9.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.653 HG21 ' CD2' ' A' ' 86' ' ' LEU . 57.7 mt -125.58 142.95 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.446 ' HB3' ' CG1' ' A' ' 23' ' ' ILE . 15.6 ptt85 -132.73 114.44 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 43' ' ' ARG . 94.4 t -35.3 130.83 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.097 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 t -113.92 91.62 3.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -65.61 -25.12 67.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.776 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 m -46.62 -67.01 0.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.465 ' O ' ' C ' ' A' ' 49' ' ' VAL . 2.1 p-80 -101.78 43.65 1.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 49' ' ' VAL . 7.2 p 32.56 37.3 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.617 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . -134.95 -131.9 3.11 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.44 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.617 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 12.9 m-85 -151.89 169.43 22.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.014 0.435 . . . . 0.0 110.976 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 32.1 m -134.86 122.87 22.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.091 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.7 tp -96.65 133.97 40.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 m -144.27 161.24 39.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.45 ' HB3' ' CB ' ' A' ' 40' ' ' PHE . 48.5 p90 -170.63 150.9 3.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.595 ' HZ3' ' HA ' ' A' ' 33' ' ' GLU . 17.1 tptt -64.75 129.18 38.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -120.16 146.74 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.164 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 57' ' ' ALA . 16.4 mm-40 -35.24 -49.84 0.51 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.1 t -70.43 -65.77 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.462 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 11.2 t -167.13 173.91 8.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.919 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 79.3 m -55.56 133.91 50.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 76.5 m -109.25 161.51 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -141.03 122.58 15.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.617 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.454 ' CD1' HG21 ' A' ' 98' ' ' ILE . 58.3 m-85 -127.47 106.7 9.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.958 -1.019 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ppp? -65.63 148.48 51.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.622 HG22 HG12 ' A' ' 76' ' ' ILE . 96.3 t -127.85 114.43 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 mtmt -81.16 159.15 24.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.567 ' HG ' ' CE1' ' A' ' 74' ' ' PHE . 2.2 tt -103.47 95.27 5.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.709 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.9 mm? -45.35 165.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -76.07 -20.35 57.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 71' ' ' ASP . 14.4 t0 -84.77 21.1 1.62 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 68.93 9.34 59.52 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.527 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.1 p -99.4 -177.36 3.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 111.15 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.567 ' CE1' ' HG ' ' A' ' 68' ' ' LEU . 55.1 m-85 -132.22 145.97 51.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.709 ' HB3' HD21 ' A' ' 69' ' ' LEU . 7.1 ttt -155.16 146.49 22.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.659 HG23 ' HD2' ' A' ' 77' ' ' PRO . 80.1 mt -93.46 138.43 23.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.556 0.694 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.659 ' HD2' HG23 ' A' ' 76' ' ' ILE . 54.3 Cg_endo -69.74 79.96 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.06 -19.92 0.49 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -88.74 179.68 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.951 0.405 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.64 17.17 10.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 m -143.16 161.14 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -135.45 179.15 6.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.52 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 21.0 m-70 -150.24 162.76 39.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.5 p -72.29 -53.45 12.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.163 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -136.53 154.6 50.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.653 ' CD2' HG21 ' A' ' 42' ' ' ILE . 7.0 mp -38.0 -45.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.963 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -49.13 -58.29 5.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.64 -7.39 38.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.103 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -97.57 -25.29 15.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.962 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 86' ' ' LEU . 80.5 t -79.49 -51.14 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 96.1 m -55.04 -47.87 74.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.446 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 38.6 t80 -60.71 -37.79 82.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.423 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 3.9 m-70 -58.55 -48.77 79.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -43.0 -24.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 93' ' ' HIS . 47.6 mt-30 -108.21 -22.46 12.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 3.9 mmmt -127.08 108.43 21.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.61 0.719 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.563 ' HD3' HD21 ' A' ' 104' ' ' LEU . 54.8 Cg_endo -69.67 -167.8 0.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.237 . . . . 0.0 112.41 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.786 HG22 ' HD2' ' A' ' 100' ' ' PRO . 2.3 mm -92.94 144.56 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.517 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.1 tt0 -39.26 -58.52 1.83 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.656 0.741 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.786 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.67 -49.73 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.371 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -98.52 115.75 29.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -16.64 56.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -54.5 126.59 24.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.563 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.9 mt -93.84 173.36 7.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 40' ' ' PHE . 25.3 mt -91.5 172.68 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.515 HG23 ' HA3' ' A' ' 38' ' ' GLY . 2.8 p -131.72 -58.57 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.427 ' N ' ' OG1' ' A' ' 106' ' ' THR . 14.9 pt20 -150.3 150.52 29.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.645 0.736 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 143.89 51.72 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 17.2 t -80.45 164.73 22.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.456 ' NE ' ' OE2' ' A' ' 17' ' ' GLU . 1.8 mmt85 -120.22 139.42 52.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -55.8 161.94 1.98 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -60.32 -175.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.956 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -79.83 164.51 23.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.4 m -127.32 98.23 5.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -79.72 145.21 27.27 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.419 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.82 -8.08 22.7 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.619 2.213 . . . . 0.0 112.345 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 26.0 m -114.32 166.91 11.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.7 p -118.53 172.67 7.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.789 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 m -117.59 148.01 42.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.856 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.4 p -137.75 140.58 40.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.74 102.58 0.5 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t -86.54 86.15 7.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -43.3 123.17 2.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 45.59 -144.97 3.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.514 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -146.53 125.42 2.22 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.48 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -84.18 87.64 7.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.856 0.36 . . . . 0.0 110.943 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.4 mt -90.67 82.33 5.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -147.77 164.04 34.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.036 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -88.72 132.73 34.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -58.71 97.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -99.43 35.44 4.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.497 HG23 ' HD2' ' A' ' 16' ' ' PRO . 9.1 p -140.34 135.74 16.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.682 0.753 . . . . 0.0 111.111 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.595 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 53.7 Cg_endo -69.71 176.77 6.29 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.637 2.225 . . . . 0.0 112.348 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -82.52 -39.66 22.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.616 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 62.9 p-90 -60.38 -19.52 56.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -93.28 88.0 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.761 ' O ' HG23 ' A' ' 23' ' ' ILE . 13.9 m-70 -85.54 36.18 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 50.08 -148.11 6.85 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.538 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.15 81.08 4.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 111.055 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.761 HG23 ' O ' ' A' ' 20' ' ' HIS . 28.2 pt -87.78 171.28 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.6 m -90.55 171.75 9.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -60.64 -40.62 92.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -72.14 -38.08 69.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -59.52 -53.95 52.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' CA ' HD12 ' A' ' 23' ' ' ILE . . . -55.85 -48.72 75.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -64.3 -39.36 93.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.5 m-20 -72.79 -29.34 63.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.49 HD22 ' CE1' ' A' ' 20' ' ' HIS . 5.5 mt -70.39 -29.83 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.831 HD21 HD12 ' A' ' 41' ' ' LEU . 71.1 mt -93.52 -34.77 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 34' ' ' SER . 4.6 pt-20 -46.64 -47.31 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.496 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.1 t -88.16 27.21 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.836 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -126.7 156.0 74.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.731 . . . . 0.0 110.959 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 149.18 66.63 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.65 2.234 . . . . 0.0 112.393 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.649 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -48.82 132.03 18.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.649 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 108.95 -29.22 9.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -47.85 115.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.918 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.694 ' CE1' HG11 ' A' ' 90' ' ' VAL . 19.9 p90 -109.68 149.99 28.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.843 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -156.92 158.71 37.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.616 HD12 ' CZ3' ' A' ' 18' ' ' TRP . 88.1 mt -124.44 155.0 32.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.46 ' N ' HG22 ' A' ' 42' ' ' ILE . 23.6 ptt85 -147.42 127.22 13.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.0 t -51.79 128.92 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -76.03 165.7 24.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.832 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 -126.32 -55.71 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.796 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 30.6 t -49.73 -51.96 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 7.2 p-80 -122.21 132.13 54.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.59 125.48 4.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.84 -144.84 13.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -139.15 175.2 9.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.958 0.409 . . . . 0.0 110.956 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 79.5 m -141.16 107.07 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.108 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.8 tp -82.91 146.18 28.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.9 m -153.66 165.89 34.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -175.23 145.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -64.49 121.5 14.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -114.77 144.09 44.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ALA . 32.3 mm-40 -35.06 -41.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.94 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.5 m -74.78 -68.13 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.2 m -169.86 166.6 9.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 88.7 m -51.72 131.75 30.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 98.7 m -110.17 151.15 27.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -132.57 113.92 13.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.635 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.922 ' CD2' HG21 ' A' ' 98' ' ' ILE . 11.4 m-85 -111.87 129.57 56.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.022 -0.99 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 18.4 ptm -84.99 140.89 30.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.9 t -123.69 118.14 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.137 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -89.02 164.1 15.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.901 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 tt -104.05 113.5 27.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' ' 75' ' ' MET . 3.0 mm? -70.11 166.29 20.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.76 -23.68 60.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.407 ' O ' HG23 ' A' ' 73' ' ' THR . 4.2 m-20 -84.36 27.59 0.69 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.15 28.83 59.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 71' ' ' ASP . 72.2 p -116.88 -177.32 3.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.356 . . . . 0.0 111.134 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -136.02 138.01 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.587 ' HB3' HD21 ' A' ' 69' ' ' LEU . 6.6 ttt -146.67 141.65 27.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.61 HG23 ' HD2' ' A' ' 77' ' ' PRO . 54.7 mt -83.98 137.12 40.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.68 0.752 . . . . 0.0 111.075 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.61 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.7 Cg_endo -69.74 85.15 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.731 2.287 . . . . 0.0 112.337 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 150.72 -22.1 1.03 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.478 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -83.61 -175.72 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 0.0 110.896 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -126.87 17.45 7.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 m -145.0 162.22 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -134.56 -178.35 5.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.451 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 32.2 m-70 -153.85 161.91 41.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.3 p -71.22 -52.09 20.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 86' ' ' LEU . 4.1 m -140.72 155.95 46.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.788 ' O ' HG23 ' A' ' 90' ' ' VAL . 1.9 mm? -35.88 -47.04 0.49 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.957 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -47.28 -61.98 1.64 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.827 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.48 -10.93 38.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.48 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.54 -20.91 18.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 86' ' ' LEU . 74.9 t -80.17 -42.33 21.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.9 m -60.43 -52.95 63.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.465 ' CE1' ' HG3' ' A' ' 96' ' ' LYS . 32.2 t80 -55.85 -37.41 68.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 6.2 m-70 -59.12 -40.75 86.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -57.43 -15.58 7.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -112.58 -30.09 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.465 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 11.1 mmmt -122.15 118.52 29.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.524 0.678 . . . . 0.0 110.904 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.604 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.8 Cg_endo -69.77 -175.89 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.249 . . . . 0.0 112.314 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.922 HG21 ' CD2' ' A' ' 64' ' ' PHE . 3.2 mm -92.68 137.23 22.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.12 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.0 OUTLIER -34.15 -58.4 0.61 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.872 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.9 Cg_endo -69.77 -50.94 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.74 2.294 . . . . 0.0 112.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -96.49 114.17 25.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.478 ' CD ' ' O ' ' A' ' 102' ' ' ARG . 5.2 ppt_? -85.05 36.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -109.15 136.58 48.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.604 HD21 ' HD3' ' A' ' 97' ' ' PRO . 15.6 mt -94.45 169.59 10.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 40' ' ' PHE . 28.3 mt -95.37 173.65 7.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.97 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.476 ' CG2' ' HA3' ' A' ' 38' ' ' GLY . 11.2 p -133.69 -62.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.435 ' N ' ' OG1' ' A' ' 106' ' ' THR . 20.6 pt20 -147.75 152.67 41.56 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.613 0.72 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.445 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.1 Cg_endo -69.73 142.26 47.58 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.724 2.282 . . . . 0.0 112.283 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 44.4 t -74.53 162.49 28.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 108' ' ' PRO . 11.2 mmt-85 -118.04 131.15 56.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -58.86 147.9 32.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.26 142.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -63.54 138.59 58.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.6 p -175.05 122.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -151.66 134.1 4.47 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.485 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 -50.81 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 73.3 p -81.98 124.12 29.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -91.5 -32.8 15.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.907 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.508 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -165.47 149.9 8.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 p -100.45 150.26 22.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.96 81.15 0.5 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.559 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -133.53 158.11 43.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 110.812 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t 53.83 48.06 22.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.25 179.24 28.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.18 -94.13 0.73 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.499 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -150.67 132.6 15.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.869 0.366 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.3 mt -78.79 82.94 4.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.93 153.82 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -128.17 141.87 51.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.931 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -153.69 128.4 9.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -110.82 40.33 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.7 t -124.91 132.14 24.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -172.97 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.721 2.28 . . . . 0.0 112.342 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -95.53 -39.29 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.643 ' CE3' HD12 ' A' ' 42' ' ' ILE . 66.6 p-90 -62.44 -9.11 7.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -100.17 89.87 4.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.466 ' O ' HG23 ' A' ' 23' ' ' ILE . 32.6 m-70 -88.5 33.92 0.76 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 47.81 -128.25 15.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.455 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.54 97.38 7.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 111.171 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.64 ' CD1' ' HB2' ' A' ' 28' ' ' ALA . 12.3 pt -113.94 170.53 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 25' ' ' ARG . 6.5 t -100.98 147.31 26.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 24' ' ' SER . 26.5 ttp180 -37.2 -49.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 27' ' ' ASP . 12.1 pt-20 -54.21 -48.23 71.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 6.5 m-20 -59.62 -61.51 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.64 ' HB2' ' CD1' ' A' ' 23' ' ' ILE . . . -48.02 -46.83 33.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.089 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -64.33 -36.91 85.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -72.32 -28.84 63.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' CD2' ' HG2' ' A' ' 112' ' ' LYS . 3.9 mt -72.13 -30.41 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.772 HD11 HD12 ' A' ' 41' ' ' LEU . 53.5 mt -91.09 -25.23 19.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 34' ' ' SER . 4.5 pt-20 -55.24 -38.49 68.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' A' ' 33' ' ' GLU . 3.2 m -97.34 21.27 10.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.2 mm-40 -119.33 156.39 52.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.57 0.7 . . . . 0.0 110.944 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 152.0 69.3 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.73 2.287 . . . . 0.0 112.33 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.2 OUTLIER -52.4 128.17 24.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.528 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 111.0 -19.42 25.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.426 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.439 ' O ' HD22 ' A' ' 32' ' ' LEU . 12.3 m -59.51 116.35 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.967 0.413 . . . . 0.0 110.78 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.968 ' HB3' HD22 ' A' ' 105' ' ' LEU . 24.7 p90 -106.55 158.23 17.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.941 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -163.84 146.45 9.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.643 HD12 ' CE3' ' A' ' 18' ' ' TRP . 78.5 mt -116.73 149.68 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.182 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.451 ' CB ' ' CG1' ' A' ' 23' ' ' ILE . 16.6 ptt85 -140.95 114.18 8.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.792 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 43' ' ' ARG . 43.4 t -34.9 128.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 t -87.06 150.69 23.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -120.76 -43.26 2.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.7 p -48.38 -51.53 26.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -127.67 153.03 46.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 49' ' ' VAL . 11.9 p -61.49 114.58 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.52 -151.14 23.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' CD2' HD11 ' A' ' 86' ' ' LEU . 43.0 m-85 -135.71 169.63 17.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.01 0.433 . . . . 0.0 110.839 -179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.1 m -129.76 115.47 17.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.212 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 tp -92.53 141.41 28.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.7 m -149.4 164.92 33.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.596 ' CD2' HD21 ' A' ' 105' ' ' LEU . 17.8 p90 -175.08 148.41 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -65.84 129.61 40.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.441 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -122.15 149.15 44.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -39.58 -40.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.973 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.4 m -77.64 -69.21 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 87.8 p -167.12 166.11 15.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.9 p -47.48 133.08 13.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 29.9 m -109.49 148.87 30.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -132.1 122.86 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 109.602 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.685 ' CD2' HG21 ' A' ' 98' ' ' ILE . 16.6 m-85 -124.89 132.66 53.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.814 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 26.7 ptm -88.15 141.81 28.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.442 HG22 HG12 ' A' ' 76' ' ' ILE . 48.1 t -121.16 111.6 32.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -78.6 162.67 26.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 tt -110.34 97.72 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.8 mm? -52.31 175.23 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.89 -23.32 33.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -85.25 28.39 0.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 57.93 29.72 62.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.532 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.0 p -116.27 179.74 3.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.853 0.359 . . . . 0.0 111.159 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.431 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 16.2 m-85 -135.48 137.79 42.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.672 ' HB3' HD21 ' A' ' 69' ' ' LEU . 3.2 ttt -150.01 126.24 10.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 77' ' ' PRO . 57.1 mt -71.08 138.4 84.77 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.64 0.733 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.9 Cg_endo -69.73 94.92 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.722 2.281 . . . . 0.0 112.386 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.4 -23.09 1.37 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.538 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -90.03 179.07 6.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 0.0 110.877 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 2.7 mppt? -120.78 21.12 11.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 m -143.3 169.98 10.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.065 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -142.77 177.85 8.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.511 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 21.8 m-70 -147.66 161.89 40.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.9 p -67.84 -54.22 20.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.406 ' HA ' ' CE1' ' A' ' 74' ' ' PHE . 2.9 m -143.72 159.45 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.802 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.959 ' O ' HG23 ' A' ' 90' ' ' VAL . 32.4 mt -37.84 -46.49 0.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.17 -56.41 9.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.36 -9.72 58.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.04 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.547 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.36 -18.58 19.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.931 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 86' ' ' LEU . 42.2 t -82.76 -28.58 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 55.0 m -75.27 -48.08 24.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -62.69 -29.57 70.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.408 ' O ' ' CD2' ' A' ' 104' ' ' LEU . 3.4 m-70 -69.15 -36.4 77.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -58.49 -12.0 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -115.84 -32.19 5.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt -119.25 118.46 32.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.525 0.679 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -172.12 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.725 2.283 . . . . 0.0 112.382 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.858 HG22 ' HD2' ' A' ' 100' ' ' PRO . 3.1 mm -95.24 141.58 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.535 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.4 tt0 -35.53 -58.31 0.83 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.651 0.738 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.858 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.7 Cg_endo -69.82 -50.24 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.677 2.252 . . . . 0.0 112.381 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -99.71 115.69 30.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.97 -8.0 57.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.32 142.84 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.408 ' CD2' ' O ' ' A' ' 93' ' ' HIS . 13.6 mt -105.2 -175.24 2.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.968 HD22 ' HB3' ' A' ' 40' ' ' PHE . 45.3 mt -107.22 171.28 7.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.945 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.528 HG23 ' HA3' ' A' ' 38' ' ' GLY . 6.8 p -134.56 -57.7 0.83 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -149.84 151.92 33.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.733 . . . . 0.0 110.865 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 142.85 49.31 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.616 2.21 . . . . 0.0 112.349 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.7 155.37 33.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -115.49 135.48 54.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HG3' ' ND1' ' A' ' 20' ' ' HIS . 18.5 mp0 -53.04 168.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.43 ' HG2' ' CD2' ' A' ' 31' ' ' LEU . 29.6 mmtt -91.52 43.22 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -137.73 130.45 29.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.5 m -90.33 41.51 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 103.65 126.29 5.8 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.46 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -50.76 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.685 2.257 . . . . 0.0 112.312 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.5 t 58.8 47.53 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.4 m -141.77 179.96 6.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.459 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 1' ' ' GLY . 5.8 m 35.35 49.77 0.49 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -92.29 123.1 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.76 93.84 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 m -109.79 131.12 55.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -70.55 -45.88 64.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.63 -141.02 15.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.538 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.39 151.04 19.87 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.519 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -137.94 177.77 7.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.82 0.343 . . . . 0.0 110.97 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.7 mt -124.17 111.46 15.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.17 -38.4 0.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 42.86 54.41 4.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -113.65 96.08 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -89.4 44.17 3.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.598 HG23 ' HD2' ' A' ' 16' ' ' PRO . 7.9 p -138.31 137.63 21.08 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.638 0.732 . . . . 0.0 111.193 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.598 ' HD2' HG23 ' A' ' 15' ' ' VAL . 54.3 Cg_endo -69.71 178.49 4.49 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.648 2.232 . . . . 0.0 112.38 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -89.14 -40.22 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.434 ' CD1' ' HB2' ' A' ' 16' ' ' PRO . 59.0 p-90 -57.23 -12.79 2.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -94.72 82.55 3.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.567 ' O ' HG23 ' A' ' 23' ' ' ILE . 15.6 m-70 -82.3 42.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 38.91 -146.12 0.18 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.0 96.06 10.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.694 0.283 . . . . 0.0 111.091 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 20' ' ' HIS . 12.5 pt -105.12 170.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.094 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.495 ' O ' ' N ' ' A' ' 27' ' ' ASP . 2.2 t -96.67 141.95 29.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 24' ' ' SER . 7.4 ttm-85 -35.52 -38.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -67.27 -45.94 75.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 24' ' ' SER . 6.6 m-20 -57.74 -54.67 44.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.93 -59.23 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.073 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -56.86 -43.7 81.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -68.36 -21.52 64.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.409 HD21 ' H ' ' A' ' 112' ' ' LYS . 6.3 mt -79.21 -33.35 43.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.716 HD21 HD12 ' A' ' 41' ' ' LEU . 15.2 mt -92.02 -26.31 18.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.526 ' CG ' ' N ' ' A' ' 34' ' ' SER . 6.1 pt-20 -50.9 -49.43 59.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.526 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 3.6 m -86.79 21.61 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -119.05 155.39 53.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.563 0.696 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 151.24 69.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.35 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.521 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -51.48 127.57 20.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.581 ' HA3' HG23 ' A' ' 106' ' ' THR . . . 112.55 -22.19 17.7 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.585 ' O ' HD22 ' A' ' 32' ' ' LEU . 10.9 m -57.32 115.54 2.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.887 0.375 . . . . 0.0 110.893 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.911 ' HB3' HD22 ' A' ' 105' ' ' LEU . 39.6 p90 -107.5 163.63 12.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.806 HD22 ' C ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -168.93 154.99 6.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.583 ' N ' HD22 ' A' ' 41' ' ' LEU . 63.9 mt -127.45 143.08 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.455 ' CB ' HG12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -137.1 140.0 41.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 44' ' ' VAL . 3.9 t -55.05 125.05 9.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -82.96 166.35 18.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -127.28 -31.07 2.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 t -63.46 -61.57 2.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 65' ' ' MET . 6.8 p-80 -107.01 159.06 16.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 23.6 t -77.73 104.98 6.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.173 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.517 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 156.25 -125.93 1.71 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.501 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 50' ' ' GLY . 26.2 m-85 -149.67 -175.65 5.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.009 0.433 . . . . 0.0 110.875 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.602 HG23 ' O ' ' A' ' 64' ' ' PHE . 96.4 m -151.0 129.88 12.46 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.105 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -101.51 145.1 29.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.511 ' O ' HD13 ' A' ' 41' ' ' LEU . 67.4 m -152.45 149.74 28.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.636 ' CD2' HD21 ' A' ' 105' ' ' LEU . 17.1 p90 -159.72 152.23 21.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.927 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -64.8 128.67 36.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' GLN . . . -119.33 141.44 49.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.456 ' N ' HD21 ' A' ' 37' ' ' LEU . 20.2 mt-30 -35.88 -38.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.3 m -80.92 -62.57 1.63 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.417 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 19.4 p -171.8 161.02 5.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.837 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.0 m -45.54 141.55 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 3.8 p -117.26 157.25 26.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.45 ' HD1' ' HG ' ' A' ' 54' ' ' SER . 98.8 m-70 -137.15 124.74 22.25 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.596 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.602 ' O ' HG23 ' A' ' 52' ' ' THR . 23.3 m-85 -124.25 127.34 47.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.439 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 23.7 ptm -84.39 135.67 34.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.831 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.3 t -117.92 105.97 18.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.071 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -80.91 157.95 25.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 tt -105.28 96.63 6.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.945 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.662 HD21 ' HB3' ' A' ' 75' ' ' MET . 1.0 OUTLIER -49.48 177.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -85.48 -22.81 28.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -77.72 3.31 14.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.87 12.75 76.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.382 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.0 p -106.25 172.39 6.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.123 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.523 ' CD1' ' HA ' ' A' ' 85' ' ' SER . 5.7 m-85 -123.46 130.52 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.662 ' HB3' HD21 ' A' ' 69' ' ' LEU . 4.4 ttt -139.26 134.29 32.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.656 HG23 ' HD2' ' A' ' 77' ' ' PRO . 81.7 mt -83.93 138.74 40.04 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.601 0.715 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.656 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.2 Cg_endo -69.75 80.97 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 156.25 -16.03 0.42 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' C ' ' HD3' ' A' ' 80' ' ' LYS . 22.2 mm-40 -94.9 158.92 15.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.986 0.422 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 80' ' ' LYS . 20.8 mmtt -100.16 19.01 17.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.53 159.07 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.451 ' HB2' ' HB2' ' A' ' 75' ' ' MET . . . -125.4 -175.06 3.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.07 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.556 ' CD2' ' HB2' ' A' ' 89' ' ' LEU . 14.2 m-70 -151.69 150.6 30.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.9 p -56.62 -42.79 79.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.523 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 59.9 m -156.36 173.17 17.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.816 ' O ' HG23 ' A' ' 90' ' ' VAL . 6.8 mp -48.49 -47.41 38.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -49.24 -56.43 9.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.72 -6.25 43.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.574 HD23 ' C ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -100.03 -14.61 18.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 86' ' ' LEU . 57.6 t -87.69 -40.29 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.5 m -65.07 -38.89 92.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.201 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -71.88 -29.56 64.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -72.54 -27.32 62.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.69 -19.23 65.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -111.38 -27.73 8.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -122.86 119.1 28.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.58 0.705 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -176.0 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.691 2.26 . . . . 0.0 112.311 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.811 HG22 ' HD2' ' A' ' 100' ' ' PRO . 3.0 mm -94.95 146.14 7.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.534 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.2 tt0 -39.84 -58.4 2.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.919 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.811 ' HD2' HG22 ' A' ' 98' ' ' ILE . 54.3 Cg_endo -69.8 -50.63 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.372 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' ILE . 16.9 mmt180 -97.79 116.93 30.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.66 12.48 8.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -83.24 137.68 33.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 104' ' ' LEU . 11.3 mt -99.05 167.66 10.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.911 HD22 ' HB3' ' A' ' 40' ' ' PHE . 47.6 mt -95.39 164.82 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.581 HG23 ' HA3' ' A' ' 38' ' ' GLY . 3.6 p -129.25 -55.76 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -151.85 152.05 29.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 142.96 49.27 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.328 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 20.5 t -78.89 162.66 25.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -117.53 135.68 53.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 112' ' ' LYS . 4.4 pt20 -61.68 137.98 58.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 111' ' ' GLN . 12.5 mtpt -37.19 103.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -171.06 133.52 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.1 m -97.38 90.1 4.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -75.78 135.46 18.05 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.466 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 124.49 11.1 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.59 2.193 . . . . 0.0 112.365 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 61.4 p -163.81 160.02 21.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.7 m -99.82 148.05 24.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.489 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -152.2 171.6 17.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.921 0.391 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.4 p -141.29 167.28 22.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.814 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.88 -158.57 27.75 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.434 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -146.21 171.45 14.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.82 0.343 . . . . 0.0 110.836 -179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -174.26 116.33 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.75 158.44 31.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.5 119.26 4.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -124.96 156.38 38.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.828 0.347 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.664 ' N ' HD23 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -97.37 145.73 25.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -126.78 -178.16 4.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -97.58 140.77 31.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.9 133.74 25.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.84 37.54 2.56 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.435 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.61 125.89 12.22 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 111.158 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -173.56 0.75 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.636 2.224 . . . . 0.0 112.375 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -92.77 -27.2 17.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.834 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.546 ' CZ3' HD12 ' A' ' 42' ' ' ILE . 59.1 p-90 -78.07 -4.21 46.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -109.02 88.92 2.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.427 ' CD2' HD23 ' A' ' 41' ' ' LEU . 27.3 m-70 -82.88 40.19 0.67 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.525 ' O ' HG23 ' A' ' 44' ' ' VAL . . . 40.05 -100.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.517 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.92 97.99 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 0.0 111.105 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.435 HD11 ' HB3' ' A' ' 43' ' ' ARG . 10.0 pt -106.94 -177.74 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 27' ' ' ASP . 19.6 m -109.65 141.62 41.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 24' ' ' SER . 3.3 tmm_? -35.81 -34.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 24' ' ' SER . 13.0 pt-20 -70.49 -47.26 61.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 24' ' ' SER . 0.7 OUTLIER -58.74 -51.71 68.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.58 -56.7 12.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -56.22 -42.07 76.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -71.16 -25.61 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.52 HD21 ' HG3' ' A' ' 112' ' ' LYS . 5.8 mt -73.77 -28.31 61.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.665 HD21 HD12 ' A' ' 41' ' ' LEU . 22.3 mt -97.2 -30.33 13.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.501 ' CG ' ' N ' ' A' ' 34' ' ' SER . 5.8 pt-20 -50.77 -47.83 59.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.501 ' N ' ' CG ' ' A' ' 33' ' ' GLU . 1.4 t -87.57 25.54 1.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -124.93 154.3 71.03 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.562 0.696 . . . . 0.0 110.951 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 149.47 66.77 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.643 2.229 . . . . 0.0 112.339 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.536 HD13 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -48.64 129.2 16.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.536 ' N ' HD13 ' A' ' 37' ' ' LEU . . . 112.08 -24.53 14.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.497 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.421 ' O ' HD22 ' A' ' 32' ' ' LEU . 49.9 m -55.04 117.83 3.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.974 0.416 . . . . 0.0 110.856 -179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.92 ' HB3' HD22 ' A' ' 105' ' ' LEU . 25.0 p90 -109.32 156.8 19.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.856 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.852 HD13 ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -164.11 149.62 10.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.67 ' N ' HD22 ' A' ' 41' ' ' LEU . 66.3 mt -120.84 151.94 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.435 ' HB3' HD11 ' A' ' 23' ' ' ILE . 19.2 ptt85 -142.79 121.32 12.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 21' ' ' GLY . 52.9 t -40.42 126.26 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 t -80.92 158.61 25.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -127.83 -41.41 1.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 98.8 p -57.8 -50.8 72.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' HB2' ' A' ' 65' ' ' MET . 6.8 p-80 -124.21 128.33 49.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.7 p -43.87 130.31 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.439 ' C ' ' CD1' ' A' ' 51' ' ' TYR . . . 130.33 -138.76 10.43 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 1.031 ' CD2' HD11 ' A' ' 86' ' ' LEU . 15.0 m-85 -143.19 170.63 15.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.015 0.436 . . . . 0.0 110.924 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.0 m -133.2 121.08 22.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.135 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tp -94.66 142.34 27.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.957 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.9 m -154.62 153.55 31.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.426 ' CB ' ' HA ' ' A' ' 40' ' ' PHE . 52.8 p90 -162.92 167.91 21.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -81.71 126.82 32.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.461 ' C ' HD21 ' A' ' 37' ' ' LEU . . . -121.39 144.87 48.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.473 ' N ' HD21 ' A' ' 37' ' ' LEU . 13.3 mm-40 -34.12 -49.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.8 t -65.16 -66.08 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.1 m -174.99 167.74 3.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 81.5 m -49.44 132.22 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.2 t -117.81 167.48 11.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -141.74 148.85 39.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.524 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.578 ' CD2' HG21 ' A' ' 98' ' ' ILE . 37.6 m-85 -143.64 130.93 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.859 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.574 ' HB2' ' CE1' ' A' ' 48' ' ' HIS . 23.1 ptm -86.07 139.88 30.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.418 ' CG1' ' HB3' ' A' ' 74' ' ' PHE . 98.6 t -124.41 107.71 18.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.17 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 mtmt -78.0 172.28 13.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.579 ' HG ' ' CE2' ' A' ' 74' ' ' PHE . 1.5 tt -115.63 101.9 9.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.664 HD21 ' HB3' ' A' ' 75' ' ' MET . 2.9 mm? -51.55 -176.27 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -90.29 -24.99 20.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.849 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -80.94 10.51 4.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.67 17.39 77.57 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.567 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 65.9 p -104.08 -178.02 3.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.841 0.353 . . . . 0.0 111.126 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CE2' ' HG ' ' A' ' 68' ' ' LEU . 27.6 m-85 -135.59 122.28 20.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' MET . . . . . 0.664 ' HB3' HD21 ' A' ' 69' ' ' LEU . 5.5 ttt -131.79 138.16 48.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.652 HG23 ' HD2' ' A' ' 77' ' ' PRO . 51.3 mt -84.83 138.44 37.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.708 . . . . 0.0 111.083 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.652 ' HD2' HG23 ' A' ' 76' ' ' ILE . 53.9 Cg_endo -69.68 81.88 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.639 2.226 . . . . 0.0 112.386 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.07 -25.37 0.61 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.496 ' O ' ' CE ' ' A' ' 75' ' ' MET . 13.5 mm-40 -87.55 158.48 18.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.884 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' HD2' ' C ' ' A' ' 79' ' ' GLU . 12.1 mmmt -102.24 28.65 5.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.61 160.81 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.125 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -132.13 -175.82 3.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.06 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.519 ' CG ' ' HA ' ' A' ' 89' ' ' LEU . 11.7 m-70 -153.03 154.57 35.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 24.0 p -62.39 -54.19 43.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.481 ' HA ' ' CD1' ' A' ' 74' ' ' PHE . 6.0 m -145.24 162.62 36.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.031 HD11 ' CD2' ' A' ' 51' ' ' TYR . 85.5 mt -35.75 -51.03 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.959 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.28 -58.69 3.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.08 -7.83 39.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.59 ' O ' ' CD2' ' A' ' 93' ' ' HIS . 0.1 OUTLIER -96.63 -21.63 17.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.485 ' CG1' ' CE1' ' A' ' 40' ' ' PHE . 69.7 t -82.34 -49.26 17.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 94.8 m -56.77 -51.71 67.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -56.6 -38.96 72.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 89' ' ' LEU . 7.0 m-70 -60.44 -44.02 96.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -50.32 -21.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.914 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -110.73 -24.58 10.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 0.4 OUTLIER -125.0 112.8 26.74 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.639 0.733 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.617 ' HD3' HD21 ' A' ' 104' ' ' LEU . 53.7 Cg_endo -69.79 -175.88 1.31 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.365 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.694 HG22 ' HD2' ' A' ' 100' ' ' PRO . 1.6 mm -83.3 158.86 3.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.113 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.524 ' N ' ' HD2' ' A' ' 100' ' ' PRO . 1.5 tt0 -53.42 -58.57 12.21 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 110.84 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.694 ' HD2' HG22 ' A' ' 98' ' ' ILE . 53.6 Cg_endo -69.72 -51.1 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER -75.95 166.39 23.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.86 -21.26 4.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -67.82 143.89 55.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.617 HD21 ' HD3' ' A' ' 97' ' ' PRO . 12.4 mt -104.63 -176.7 3.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.92 HD22 ' HB3' ' A' ' 40' ' ' PHE . 50.6 mt -98.82 168.55 10.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.511 HG23 ' HA3' ' A' ' 38' ' ' GLY . 9.0 p -132.9 -60.51 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.424 ' N ' ' OG1' ' A' ' 106' ' ' THR . 13.2 pt20 -146.62 149.62 37.45 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.604 0.716 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.439 ' O ' ' NH1' ' A' ' 110' ' ' ARG . 53.2 Cg_endo -69.7 143.17 50.25 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.325 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 49.2 t -79.21 163.14 25.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 108' ' ' PRO . 11.2 mmt-85 -114.82 136.77 52.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.825 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -66.69 153.61 42.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.52 ' HG3' HD21 ' A' ' 31' ' ' LEU . 30.1 mtmt -85.65 47.1 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -164.75 143.61 6.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.2 t -125.06 -41.39 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 131.3 86.17 0.36 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.477 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -18.13 37.11 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.642 2.228 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.2 m -137.34 147.15 45.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.8 t -126.98 -43.98 1.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.484 -179.954 . . . . . . . . 0 0 . 1 stop_ save_